4S1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | doub | 1.39Å | 1.43Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.43Å | Aromatic |
| C28 | C29 | sing | 1.37Å | 1.43Å | Aromatic |
| C26 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C24 | doub | 1.41Å | 1.44Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.42Å | Aromatic |
| C23 | S22 | sing | 1.76Å | 1.74Å | Aromatic |
| C24 | N25 | sing | 1.35Å | 1.39Å | Aromatic |
| S22 | C09 | sing | 1.76Å | 1.77Å | Aromatic |
| N25 | C09 | doub | 1.29Å | 1.35Å | Aromatic |
| C09 | C06 | sing | 1.48Å | 1.48Å | |
| O18 | C17 | sing | 1.43Å | 1.42Å | |
| C06 | C05 | doub | 1.40Å | 1.45Å | Aromatic |
| C06 | C01 | sing | 1.41Å | 1.45Å | Aromatic |
| C17 | C13 | sing | 1.53Å | 1.57Å | |
| C05 | N04 | sing | 1.32Å | 1.38Å | Aromatic |
| N07 | C01 | sing | 1.38Å | 1.38Å | |
| N07 | C10 | sing | 1.46Å | 1.48Å | |
| C01 | N02 | doub | 1.33Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.54Å | 1.56Å | |
| C14 | C10 | sing | 1.55Å | 1.55Å | |
| N04 | C03 | doub | 1.33Å | 1.36Å | Aromatic |
| C13 | C12 | sing | 1.54Å | 1.56Å | |
| C10 | C11 | sing | 1.55Å | 1.56Å | |
| N02 | C03 | sing | 1.33Å | 1.34Å | Aromatic |
| C03 | N08 | sing | 1.38Å | 1.40Å | |
| C12 | C11 | sing | 1.54Å | 1.57Å | |
| C12 | O16 | sing | 1.43Å | 1.42Å | |
| C11 | O15 | sing | 1.43Å | 1.45Å | |
| N08 | C19 | sing | 1.46Å | 1.49Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C05 | H1 | sing | 1.08Å | 1.08Å | |
| N07 | H2 | sing | 0.97Å | 1.00Å | |
| N08 | H3 | sing | 0.97Å | 1.00Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| O15 | H10 | sing | 0.97Å | 0.95Å | |
| O16 | H11 | sing | 0.97Å | 0.95Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| O18 | H14 | sing | 0.97Å | 0.95Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 119.7° | 120.0° |
| C27 | C28 | C29 | 119.0° | 120.7° |
| C28 | C27 | H23 | 120.1° | 120.0° |
| C27 | C28 | H24 | 120.5° | 119.7° |
| C27 | C26 | C23 | 120.7° | 120.3° |
| C27 | C26 | H22 | 119.6° | 119.9° |
| C26 | C27 | H23 | 120.2° | 120.0° |
| C28 | C29 | C24 | 120.8° | 120.4° |
| C29 | C28 | H24 | 120.5° | 119.7° |
| C28 | C29 | H25 | 119.6° | 119.8° |
| C26 | C23 | C24 | 121.3° | 120.3° |
| C26 | C23 | S22 | 128.1° | 131.2° |
| C23 | C26 | H22 | 119.6° | 119.8° |
| C29 | C24 | C23 | 118.4° | 118.4° |
| C29 | C24 | N25 | 127.6° | 128.7° |
| C24 | C29 | H25 | 119.6° | 119.8° |
| C24 | C23 | S22 | 110.7° | 108.5° |
| C23 | C24 | N25 | 114.0° | 112.9° |
| C23 | S22 | C09 | 89.5° | 90.4° |
| C24 | N25 | C09 | 111.8° | 117.9° |
| S22 | C09 | N25 | 113.8° | 110.4° |
| S22 | C09 | C06 | 120.0° | 124.8° |
| N25 | C09 | C06 | 125.5° | 124.8° |
| C09 | C06 | C05 | 122.3° | 120.9° |
| C09 | C06 | C01 | 122.6° | 120.9° |
| O18 | C17 | C13 | 110.2° | 109.5° |
| O18 | C17 | H12 | 109.3° | 109.5° |
| O18 | C17 | H13 | 109.3° | 109.5° |
| C17 | O18 | H14 | 109.5° | 114.0° |
| C05 | C06 | C01 | 114.6° | 118.2° |
| C06 | C05 | N04 | 122.4° | 119.1° |
| C06 | C05 | H1 | 118.8° | 120.5° |
| C06 | C01 | N07 | 123.4° | 120.5° |
| C06 | C01 | N02 | 120.9° | 118.9° |
| C17 | C13 | C14 | 111.1° | 110.1° |
| C17 | C13 | C12 | 111.8° | 110.0° |
| C17 | C13 | H7 | 109.3° | 110.0° |
| C13 | C17 | H12 | 109.3° | 109.5° |
| C13 | C17 | H13 | 109.3° | 109.5° |
| C05 | N04 | C03 | 117.8° | 121.1° |
| N04 | C05 | H1 | 118.8° | 120.4° |
| C01 | N07 | C10 | 128.7° | 120.0° |
| N07 | C01 | N02 | 115.6° | 120.6° |
| C01 | N07 | H2 | 104.5° | 120.0° |
| N07 | C10 | C14 | 113.6° | 110.8° |
| N07 | C10 | C11 | 112.4° | 110.8° |
| C10 | N07 | H2 | 104.5° | 120.0° |
| N07 | C10 | H4 | 109.5° | 110.7° |
| C01 | N02 | C03 | 119.5° | 120.8° |
| C13 | C14 | C10 | 107.1° | 104.2° |
| C14 | C13 | C12 | 105.5° | 106.7° |
| C14 | C13 | H7 | 109.5° | 110.0° |
| C13 | C14 | H8 | 110.1° | 110.5° |
| C13 | C14 | H9 | 110.0° | 110.5° |
| C14 | C10 | C11 | 104.1° | 102.7° |
| C14 | C10 | H4 | 108.6° | 110.9° |
| C10 | C14 | H8 | 110.1° | 110.4° |
| C10 | C14 | H9 | 110.1° | 110.5° |
| N04 | C03 | N02 | 124.7° | 122.0° |
| N04 | C03 | N08 | 118.6° | 119.0° |
| C13 | C12 | C11 | 107.1° | 106.6° |
| C13 | C12 | O16 | 113.0° | 110.0° |
| C13 | C12 | H6 | 106.0° | 110.1° |
| C12 | C13 | H7 | 109.4° | 110.0° |
| C10 | C11 | C12 | 103.9° | 104.2° |
| C10 | C11 | O15 | 111.1° | 110.4° |
| C11 | C10 | H4 | 108.4° | 110.8° |
| C10 | C11 | H5 | 109.5° | 110.5° |
| N02 | C03 | N08 | 116.7° | 119.0° |
| C03 | N08 | C19 | 126.9° | 120.0° |
| C03 | N08 | H3 | 104.9° | 120.0° |
| C11 | C12 | O16 | 116.5° | 110.0° |
| C12 | C11 | O15 | 111.7° | 110.5° |
| C12 | C11 | H5 | 109.3° | 110.6° |
| C11 | C12 | H6 | 105.9° | 110.0° |
| O16 | C12 | H6 | 107.7° | 110.0° |
| C12 | O16 | H11 | 109.5° | 114.0° |
| O15 | C11 | H5 | 111.1° | 110.5° |
| C11 | O15 | H10 | 109.5° | 114.0° |
| N08 | C19 | C20 | 113.3° | 109.4° |
| C19 | N08 | H3 | 105.0° | 120.0° |
| N08 | C19 | H15 | 108.5° | 109.5° |
| N08 | C19 | H16 | 108.5° | 109.5° |
| C19 | C20 | C21 | 111.7° | 109.5° |
| C20 | C19 | H15 | 108.5° | 109.4° |
| C20 | C19 | H16 | 108.5° | 109.5° |
| C19 | C20 | H17 | 108.9° | 109.5° |
| C19 | C20 | H18 | 108.9° | 109.5° |
| C21 | C20 | H17 | 108.9° | 109.4° |
| C21 | C20 | H18 | 108.9° | 109.5° |
| C20 | C21 | H19 | 109.5° | 109.5° |
| C20 | C21 | H20 | 109.5° | 109.4° |
| C20 | C21 | H21 | 109.4° | 109.5° |
| H8 | C14 | H9 | 109.5° | 110.6° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.4° | 109.5° |
| H19 | C21 | H20 | 109.4° | 109.5° |
| H19 | C21 | H21 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H23 | 180.0° | 179.7° |
| C27 | C28 | C29 | H24 | 180.0° | 179.7° |
| C28 | C27 | C26 | C23 | 0.2° | 0.0° |
| C27 | C28 | C29 | C24 | 2.1° | 0.6° |
| C28 | C27 | C26 | H22 | 179.8° | 180.0° |
| C27 | C28 | C29 | H25 | 177.9° | 180.0° |
| C26 | C27 | C28 | C29 | 1.8° | 0.3° |
| C27 | C26 | C23 | H22 | 180.0° | 180.0° |
| C27 | C26 | C23 | C24 | 1.2° | 0.0° |
| C27 | C26 | C23 | S22 | 179.0° | 179.6° |
| C26 | C27 | C28 | H24 | 178.1° | 180.0° |
| C28 | C29 | C24 | H25 | 180.0° | 179.4° |
| C28 | C29 | C24 | C23 | 0.8° | 0.6° |
| C28 | C29 | C24 | N25 | 179.7° | 179.7° |
| C29 | C28 | C27 | H23 | 178.2° | 180.0° |
| C26 | C23 | C24 | C29 | 0.8° | 0.3° |
| C26 | C23 | C24 | S22 | 179.9° | 179.7° |
| C26 | C23 | C24 | N25 | 178.7° | 180.0° |
| C26 | C23 | S22 | C09 | 179.3° | 179.7° |
| C23 | C26 | C27 | H23 | 179.8° | 179.7° |
| C29 | C24 | C23 | N25 | 179.5° | 179.7° |
| C29 | C24 | C23 | S22 | 179.2° | 180.0° |
| C29 | C24 | N25 | C09 | 177.3° | 179.8° |
| C24 | C29 | C28 | H24 | 177.8° | 179.7° |
| C24 | C23 | S22 | C09 | 0.8° | 0.0° |
| C23 | C24 | N25 | C09 | 3.3° | 0.5° |
| C24 | C23 | C26 | H22 | 178.8° | 180.0° |
| C23 | C24 | C29 | H25 | 179.2° | 180.0° |
| S22 | C23 | C24 | N25 | 1.2° | 0.3° |
| C23 | S22 | C09 | N25 | 2.7° | 0.2° |
| C23 | S22 | C09 | C06 | 173.6° | 180.0° |
| S22 | C23 | C26 | H22 | 1.1° | 0.3° |
| C24 | N25 | C09 | S22 | 3.9° | 0.4° |
| C24 | N25 | C09 | C06 | 174.2° | 179.8° |
| N25 | C24 | C29 | H25 | 0.2° | 0.4° |
| S22 | C09 | N25 | C06 | 170.3° | 179.8° |
| S22 | C09 | C06 | C05 | 4.4° | 0.1° |
| S22 | C09 | C06 | C01 | 166.2° | 180.0° |
| N25 | C09 | C06 | C05 | 174.2° | 179.7° |
| N25 | C09 | C06 | C01 | 3.6° | 0.3° |
| C09 | C06 | C05 | C01 | 171.3° | 179.9° |
| C09 | C06 | C05 | N04 | 176.0° | 180.0° |
| C09 | C06 | C01 | N07 | 7.3° | 0.2° |
| C09 | C06 | C01 | N02 | 176.1° | 180.0° |
| C09 | C06 | C05 | H1 | 4.0° | 0.1° |
| O18 | C17 | C13 | H12 | 120.1° | 120.0° |
| O18 | C17 | C13 | H13 | 120.1° | 120.0° |
| O18 | C17 | C13 | C14 | 67.8° | 67.8° |
| O18 | C17 | C13 | C12 | 174.5° | 175.0° |
| O18 | C17 | C13 | H7 | 53.2° | 53.6° |
| O18 | C17 | H12 | H13 | 119.6° | 120.0° |
| C06 | C05 | N04 | H1 | 180.0° | 179.9° |
| C05 | C06 | C01 | N07 | 178.5° | 179.7° |
| C05 | C06 | C01 | N02 | 4.9° | 0.1° |
| C06 | C05 | N04 | C03 | 2.5° | 0.0° |
| C01 | C06 | C05 | N04 | 4.7° | 0.0° |
| C06 | C01 | N07 | N02 | 176.8° | 179.8° |
| C06 | C01 | N07 | C10 | 177.9° | 179.8° |
| C06 | C01 | N02 | C03 | 2.9° | 0.0° |
| C01 | C06 | C05 | H1 | 175.3° | 180.0° |
| C06 | C01 | N07 | H2 | 55.4° | 0.2° |
| C17 | C13 | C14 | C12 | 121.4° | 119.3° |
| C17 | C13 | C14 | H7 | 120.9° | 121.4° |
| C17 | C13 | C14 | C10 | 106.0° | 142.9° |
| C17 | C13 | C12 | H7 | 121.3° | 121.3° |
| C17 | C13 | C12 | C11 | 127.6° | 119.4° |
| C17 | C13 | C12 | O16 | 102.8° | 121.4° |
| C17 | C13 | C12 | H6 | 14.9° | 0.0° |
| C17 | C13 | C14 | H8 | 134.4° | 24.3° |
| C17 | C13 | C14 | H9 | 13.7° | 98.4° |
| C13 | C17 | H12 | H13 | 119.6° | 120.0° |
| C13 | C17 | O18 | H14 | 180.0° | 180.0° |
| C05 | N04 | C03 | N02 | 0.1° | 0.1° |
| C05 | N04 | C03 | N08 | 179.6° | 180.0° |
| C01 | N07 | C10 | H2 | 122.5° | 180.0° |
| C01 | N07 | C10 | C14 | 167.0° | 160.2° |
| C01 | N07 | C10 | C11 | 75.1° | 86.5° |
| N07 | C01 | N02 | C03 | 179.8° | 179.8° |
| C01 | N07 | C10 | H4 | 45.4° | 36.8° |
| C10 | N07 | C01 | N02 | 5.3° | 0.0° |
| N07 | C10 | C14 | C13 | 91.0° | 156.3° |
| N07 | C10 | C14 | C11 | 122.6° | 118.3° |
| N07 | C10 | C14 | H4 | 122.1° | 123.3° |
| N07 | C10 | C11 | H4 | 121.2° | 123.2° |
| N07 | C10 | C11 | C12 | 88.4° | 156.2° |
| N07 | C10 | C11 | O15 | 151.4° | 85.1° |
| N07 | C10 | C11 | H5 | 28.3° | 37.4° |
| N07 | C10 | C14 | H8 | 149.4° | 37.7° |
| N07 | C10 | C14 | H9 | 28.7° | 85.0° |
| C01 | N02 | C03 | N04 | 0.4° | 0.1° |
| C01 | N02 | C03 | N08 | 179.9° | 180.0° |
| N02 | C01 | N07 | H2 | 127.8° | 180.0° |
| C13 | C14 | C10 | H8 | 119.7° | 118.6° |
| C13 | C14 | C10 | H9 | 119.6° | 118.7° |
| C14 | C13 | C12 | H7 | 117.8° | 119.3° |
| C13 | C14 | C10 | C11 | 31.6° | 37.9° |
| C14 | C13 | C12 | C11 | 6.7° | 0.0° |
| C14 | C13 | C12 | O16 | 136.3° | 119.3° |
| C13 | C14 | C10 | H4 | 147.0° | 80.5° |
| C14 | C13 | C12 | H6 | 106.0° | 119.3° |
| C13 | C14 | H8 | H9 | 121.0° | 122.7° |
| C14 | C13 | C17 | H12 | 52.3° | 172.2° |
| C14 | C13 | C17 | H13 | 172.1° | 52.2° |
| C10 | C14 | C13 | C12 | 15.4° | 23.6° |
| C14 | C10 | C11 | H4 | 115.5° | 118.5° |
| C14 | C10 | C11 | C12 | 35.0° | 37.9° |
| C14 | C10 | C11 | O15 | 85.3° | 156.6° |
| C14 | C10 | N07 | H2 | 70.5° | 19.8° |
| C14 | C10 | C11 | H5 | 151.6° | 80.9° |
| C10 | C14 | C13 | H7 | 133.1° | 95.7° |
| C10 | C14 | H8 | H9 | 121.1° | 122.6° |
| N04 | C03 | N02 | N08 | 179.5° | 179.9° |
| N04 | C03 | N08 | C19 | 178.0° | 0.0° |
| C03 | N04 | C05 | H1 | 177.5° | 179.9° |
| N04 | C03 | N08 | H3 | 59.6° | 180.0° |
| C13 | C12 | C11 | C10 | 25.9° | 23.6° |
| C13 | C12 | C11 | O16 | 127.5° | 119.2° |
| C13 | C12 | C11 | H6 | 112.8° | 119.4° |
| C13 | C12 | O16 | H6 | 116.7° | 121.5° |
| C13 | C12 | C11 | O15 | 94.0° | 142.2° |
| C13 | C12 | C11 | H5 | 142.6° | 95.1° |
| C12 | C13 | C14 | H8 | 104.3° | 95.0° |
| C12 | C13 | C14 | H9 | 135.0° | 142.3° |
| C13 | C12 | O16 | H11 | 180.0° | 178.6° |
| C12 | C13 | C17 | H12 | 65.3° | 55.0° |
| C12 | C13 | C17 | H13 | 54.5° | 65.0° |
| C10 | C11 | C12 | O15 | 119.8° | 118.7° |
| C10 | C11 | C12 | H5 | 116.8° | 118.7° |
| C10 | C11 | C12 | O16 | 153.4° | 95.7° |
| C10 | C11 | O15 | H5 | 122.2° | 122.5° |
| C11 | C10 | N07 | H2 | 47.4° | 93.5° |
| C10 | C11 | C12 | H6 | 86.9° | 143.0° |
| C11 | C10 | C14 | H8 | 88.0° | 80.7° |
| C11 | C10 | C14 | H9 | 151.2° | 156.6° |
| C10 | C11 | O15 | H10 | 180.0° | 180.0° |
| N02 | C03 | N08 | C19 | 2.4° | 179.9° |
| N02 | C03 | N08 | H3 | 119.9° | 0.0° |
| C03 | N08 | C19 | H3 | 122.3° | 180.0° |
| C03 | N08 | C19 | C20 | 172.0° | 180.0° |
| C03 | N08 | C19 | H15 | 67.4° | 60.0° |
| C03 | N08 | C19 | H16 | 51.4° | 60.0° |
| C11 | C12 | O16 | H6 | 118.7° | 121.4° |
| C12 | C11 | O15 | H5 | 122.4° | 122.7° |
| C12 | C11 | C10 | H4 | 150.4° | 80.6° |
| C11 | C12 | C13 | H7 | 111.1° | 119.3° |
| C12 | C11 | O15 | H10 | 64.6° | 65.2° |
| C11 | C12 | O16 | H11 | 55.4° | 61.5° |
| O16 | C12 | C11 | O15 | 33.6° | 23.0° |
| O16 | C12 | C11 | H5 | 89.8° | 145.6° |
| O16 | C12 | C13 | H7 | 18.5° | 0.1° |
| O15 | C11 | C10 | H4 | 30.2° | 38.2° |
| O15 | C11 | C12 | H6 | 153.2° | 98.4° |
| N08 | C19 | C20 | H15 | 120.6° | 120.1° |
| N08 | C19 | C20 | H16 | 120.5° | 120.0° |
| N08 | C19 | C20 | C21 | 174.3° | 179.9° |
| N08 | C19 | H15 | H16 | 118.2° | 120.0° |
| N08 | C19 | C20 | H17 | 54.0° | 60.0° |
| N08 | C19 | C20 | H18 | 65.3° | 60.0° |
| C19 | C20 | C21 | H17 | 120.3° | 120.0° |
| C19 | C20 | C21 | H18 | 120.4° | 120.1° |
| C20 | C19 | N08 | H3 | 49.7° | 0.0° |
| C20 | C19 | H15 | H16 | 118.3° | 120.0° |
| C19 | C20 | H17 | H18 | 119.0° | 120.1° |
| C19 | C20 | C21 | H19 | 180.0° | 180.0° |
| C19 | C20 | C21 | H20 | 60.0° | 60.0° |
| C19 | C20 | C21 | H21 | 60.0° | 60.0° |
| C21 | C20 | C19 | H15 | 65.1° | 60.0° |
| C21 | C20 | C19 | H16 | 53.8° | 60.0° |
| C21 | C20 | H17 | H18 | 119.0° | 120.0° |
| C20 | C21 | H19 | H20 | 120.0° | 119.9° |
| C20 | C21 | H19 | H21 | 120.0° | 120.0° |
| C20 | C21 | H20 | H21 | 120.0° | 120.0° |
| H2 | N07 | C10 | H4 | 167.9° | 143.2° |
| H3 | N08 | C19 | H15 | 170.2° | 120.0° |
| H3 | N08 | C19 | H16 | 70.9° | 120.0° |
| H4 | C10 | C11 | H5 | 92.9° | 160.6° |
| H4 | C10 | C14 | H8 | 27.3° | 160.9° |
| H4 | C10 | C14 | H9 | 93.4° | 38.3° |
| H5 | C11 | C12 | H6 | 29.8° | 24.2° |
| H5 | C11 | O15 | H10 | 57.8° | 57.5° |
| H6 | C12 | C13 | H7 | 136.2° | 121.4° |
| H6 | C12 | O16 | H11 | 63.3° | 59.9° |
| H7 | C13 | C14 | H8 | 13.4° | 145.7° |
| H7 | C13 | C14 | H9 | 107.3° | 23.0° |
| H7 | C13 | C17 | H12 | 173.3° | 66.4° |
| H7 | C13 | C17 | H13 | 66.9° | 173.6° |
| H12 | C17 | O18 | H14 | 59.9° | 60.0° |
| H13 | C17 | O18 | H14 | 59.9° | 60.0° |
| H15 | C19 | C20 | H17 | 174.6° | 180.0° |
| H15 | C19 | C20 | H18 | 55.3° | 60.0° |
| H16 | C19 | C20 | H17 | 66.6° | 60.0° |
| H16 | C19 | C20 | H18 | 174.1° | 180.0° |
| H17 | C20 | C21 | H19 | 59.7° | 60.0° |
| H17 | C20 | C21 | H20 | 179.7° | 180.0° |
| H17 | C20 | C21 | H21 | 60.3° | 60.0° |
| H18 | C20 | C21 | H19 | 59.6° | 59.9° |
| H18 | C20 | C21 | H20 | 60.4° | 60.0° |
| H18 | C20 | C21 | H21 | 179.6° | 180.0° |
| H19 | C21 | H20 | H21 | 120.0° | 120.1° |
| H22 | C26 | C27 | H23 | 0.2° | 0.3° |
| H23 | C27 | C28 | H24 | 1.9° | 0.3° |
| H24 | C28 | C29 | H25 | 2.2° | 0.3° |
