PPB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| N1 | C2 | sing | 1.46Å | 1.46Å | |
| N1 | C8 | sing | 1.35Å | 1.33Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| B1 | C2 | sing | 1.57Å | 1.49Å | |
| B1 | O2 | sing | 1.42Å | 1.46Å | |
| B1 | O1 | sing | 1.42Å | 1.46Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| N5 | C7 | sing | 1.47Å | 1.46Å | |
| N5 | C11 | sing | 1.47Å | 1.46Å | |
| N5 | C12 | sing | 1.35Å | 1.34Å | |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| C7 | C9 | sing | 1.54Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.11Å | |
| C8 | O3 | doub | 1.21Å | 1.24Å | |
| C9 | C10 | sing | 1.55Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.55Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | O4 | doub | 1.21Å | 1.24Å | |
| C12 | C14 | sing | 1.51Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C14 | N6 | sing | 1.47Å | 1.46Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C16 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C23 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C23 | C6 | sing | 1.43Å | 1.51Å | |
| C24 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | N2 | trip | 1.14Å | 1.20Å | |
| C13 | C21 | sing | 1.51Å | 1.55Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| N6 | HN61 | sing | 1.01Å | 1.02Å | |
| N6 | HN62 | sing | 1.01Å | 1.02Å | |
| C17 | C18 | doub | 1.38Å | 1.42Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.38Å | 1.43Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 115.1° | 109.5° |
| C4 | C3 | H31 | 110.2° | 109.5° |
| C4 | C3 | H32 | 110.1° | 109.4° |
| C3 | C4 | C16 | 124.0° | 119.9° |
| C3 | C4 | C24 | 116.8° | 119.9° |
| C2 | C3 | H31 | 110.1° | 109.5° |
| C2 | C3 | H32 | 110.2° | 109.5° |
| C3 | C2 | N1 | 107.9° | 109.5° |
| C3 | C2 | B1 | 112.3° | 109.5° |
| C3 | C2 | H2 | 108.4° | 109.5° |
| H31 | C3 | H32 | 100.1° | 109.5° |
| C16 | C4 | C24 | 119.0° | 120.2° |
| C4 | C16 | C23 | 119.4° | 119.8° |
| C4 | C16 | H16 | 120.5° | 120.1° |
| C4 | C24 | C25 | 121.7° | 120.3° |
| C4 | C24 | H24 | 119.2° | 119.9° |
| C2 | N1 | C8 | 124.0° | 120.0° |
| C2 | N1 | HN1 | 123.1° | 120.0° |
| N1 | C2 | B1 | 108.4° | 109.5° |
| N1 | C2 | H2 | 112.1° | 109.5° |
| C8 | N1 | HN1 | 112.9° | 120.0° |
| N1 | C8 | C7 | 109.8° | 120.0° |
| N1 | C8 | O3 | 127.7° | 120.0° |
| C2 | B1 | O2 | 107.4° | 120.0° |
| C2 | B1 | O1 | 107.8° | 120.0° |
| B1 | C2 | H2 | 107.8° | 109.5° |
| O2 | B1 | O1 | 100.3° | 120.0° |
| B1 | O2 | HO2 | 107.4° | 106.8° |
| B1 | O1 | HO1 | 107.8° | 106.8° |
| C7 | N5 | C11 | 113.4° | 108.7° |
| C7 | N5 | C12 | 117.7° | 125.7° |
| N5 | C7 | C8 | 108.2° | 110.3° |
| N5 | C7 | C9 | 104.3° | 107.2° |
| N5 | C7 | H7 | 112.6° | 109.6° |
| C11 | N5 | C12 | 128.8° | 125.7° |
| N5 | C11 | C10 | 105.9° | 104.9° |
| N5 | C11 | H111 | 113.6° | 110.3° |
| N5 | C11 | H112 | 113.6° | 110.3° |
| N5 | C12 | O4 | 122.2° | 120.0° |
| N5 | C12 | C14 | 114.2° | 120.0° |
| C8 | C7 | C9 | 106.6° | 109.9° |
| C8 | C7 | H7 | 110.6° | 109.9° |
| C7 | C8 | O3 | 121.9° | 120.0° |
| C9 | C7 | H7 | 114.1° | 109.8° |
| C7 | C9 | C10 | 108.6° | 103.0° |
| C7 | C9 | H91 | 112.6° | 110.9° |
| C7 | C9 | H92 | 112.5° | 110.5° |
| C10 | C9 | H91 | 112.5° | 110.7° |
| C10 | C9 | H92 | 112.5° | 110.7° |
| C9 | C10 | C11 | 105.8° | 101.6° |
| C9 | C10 | H101 | 113.6° | 111.0° |
| C9 | C10 | H102 | 113.6° | 111.0° |
| H91 | C9 | H92 | 97.9° | 110.7° |
| C11 | C10 | H101 | 113.6° | 111.0° |
| C11 | C10 | H102 | 113.6° | 111.1° |
| C10 | C11 | H111 | 113.6° | 110.4° |
| C10 | C11 | H112 | 113.6° | 110.3° |
| H101 | C10 | H102 | 96.8° | 110.8° |
| H111 | C11 | H112 | 96.9° | 110.4° |
| O4 | C12 | C14 | 121.3° | 120.0° |
| C12 | C14 | C13 | 116.5° | 109.5° |
| C12 | C14 | N6 | 108.2° | 109.5° |
| C12 | C14 | H14 | 105.4° | 109.5° |
| C13 | C14 | N6 | 109.0° | 109.5° |
| C13 | C14 | H14 | 104.4° | 109.4° |
| C14 | C13 | C21 | 118.0° | 109.5° |
| C14 | C13 | H131 | 109.2° | 109.5° |
| C14 | C13 | H132 | 109.2° | 109.5° |
| N6 | C14 | H14 | 113.5° | 109.4° |
| C14 | N6 | HN61 | 108.2° | 106.7° |
| C14 | N6 | HN62 | 112.7° | 106.7° |
| C23 | C16 | H16 | 120.1° | 120.0° |
| C16 | C23 | C5 | 120.9° | 119.7° |
| C16 | C23 | C6 | 122.1° | 120.1° |
| C5 | C23 | C6 | 116.9° | 120.2° |
| C23 | C5 | C25 | 121.0° | 119.9° |
| C23 | C5 | H5 | 119.8° | 120.0° |
| C23 | C6 | N2 | 179.1° | 179.9° |
| C25 | C24 | H24 | 119.1° | 119.8° |
| C24 | C25 | C5 | 118.0° | 120.1° |
| C24 | C25 | H25 | 121.7° | 119.9° |
| C5 | C25 | H25 | 120.3° | 119.9° |
| C25 | C5 | H5 | 119.3° | 120.1° |
| C21 | C13 | H131 | 109.1° | 109.5° |
| C21 | C13 | H132 | 109.1° | 109.5° |
| C13 | C21 | C20 | 119.0° | 120.0° |
| C13 | C21 | C22 | 123.0° | 120.0° |
| H131 | C13 | H132 | 101.0° | 109.4° |
| HN61 | N6 | HN62 | 112.7° | 106.7° |
| C18 | C17 | C22 | 119.8° | 120.0° |
| C18 | C17 | H17 | 120.0° | 120.0° |
| C17 | C18 | C19 | 121.3° | 120.0° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C22 | C17 | H17 | 120.1° | 120.0° |
| C17 | C22 | C21 | 120.6° | 120.0° |
| C17 | C22 | H22 | 119.5° | 120.0° |
| C19 | C18 | H18 | 118.8° | 120.0° |
| C18 | C19 | C20 | 118.0° | 120.0° |
| C18 | C19 | H19 | 120.4° | 120.0° |
| C20 | C19 | H19 | 121.6° | 120.0° |
| C19 | C20 | C21 | 122.7° | 120.0° |
| C19 | C20 | H20 | 118.4° | 120.0° |
| C21 | C20 | H20 | 118.9° | 120.0° |
| C20 | C21 | C22 | 117.5° | 120.0° |
| C21 | C22 | H22 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | H31 | 125.3° | 120.1° |
| C4 | C3 | C2 | H32 | 125.2° | 119.9° |
| C4 | C3 | H31 | H32 | 116.0° | 120.0° |
| C3 | C4 | C16 | C24 | 174.9° | 179.6° |
| C4 | C3 | C2 | N1 | 63.8° | 180.0° |
| C4 | C3 | C2 | B1 | 176.8° | 60.0° |
| C4 | C3 | C2 | H2 | 57.8° | 60.0° |
| C3 | C4 | C16 | C23 | 173.8° | 179.8° |
| C3 | C4 | C16 | H16 | 6.2° | 0.3° |
| C3 | C4 | C24 | C25 | 173.4° | 180.0° |
| C3 | C4 | C24 | H24 | 6.7° | 0.1° |
| C2 | C3 | H31 | H32 | 116.0° | 120.0° |
| C2 | C3 | C4 | C16 | 18.4° | 90.3° |
| C2 | C3 | C4 | C24 | 166.6° | 90.1° |
| C3 | C2 | N1 | B1 | 121.8° | 120.0° |
| C3 | C2 | N1 | H2 | 119.2° | 120.0° |
| C3 | C2 | N1 | C8 | 126.0° | 150.0° |
| C3 | C2 | N1 | HN1 | 54.0° | 30.0° |
| C3 | C2 | B1 | H2 | 119.3° | 120.0° |
| C3 | C2 | B1 | O2 | 74.8° | 60.0° |
| C3 | C2 | B1 | O1 | 177.9° | 120.0° |
| H31 | C3 | C4 | C16 | 106.8° | 149.7° |
| H31 | C3 | C4 | C24 | 68.2° | 30.0° |
| H31 | C3 | C2 | N1 | 170.9° | 60.0° |
| H31 | C3 | C2 | B1 | 51.5° | 180.0° |
| H31 | C3 | C2 | H2 | 67.5° | 60.1° |
| H32 | C3 | C4 | C16 | 143.7° | 29.7° |
| H32 | C3 | C4 | C24 | 41.3° | 150.0° |
| H32 | C3 | C2 | N1 | 61.4° | 60.1° |
| H32 | C3 | C2 | B1 | 58.0° | 59.9° |
| H32 | C3 | C2 | H2 | 177.0° | 179.9° |
| C4 | C16 | C23 | H16 | 180.0° | 179.5° |
| C4 | C16 | C23 | C5 | 0.6° | 0.5° |
| C4 | C16 | C23 | C6 | 176.4° | 179.7° |
| C16 | C4 | C24 | C25 | 1.9° | 0.3° |
| C16 | C4 | C24 | H24 | 178.0° | 179.8° |
| C24 | C4 | C16 | C23 | 1.1° | 0.5° |
| C24 | C4 | C16 | H16 | 178.9° | 180.0° |
| C4 | C24 | C25 | H24 | 179.9° | 179.9° |
| C4 | C24 | C25 | C5 | 1.0° | 0.1° |
| C4 | C24 | C25 | H25 | 179.0° | 179.9° |
| C2 | N1 | C8 | HN1 | 180.0° | 179.9° |
| N1 | C2 | B1 | H2 | 121.6° | 120.0° |
| N1 | C2 | B1 | O2 | 166.1° | 60.0° |
| N1 | C2 | B1 | O1 | 58.8° | 120.0° |
| C2 | N1 | C8 | C7 | 178.3° | 180.0° |
| C2 | N1 | C8 | O3 | 6.7° | 0.0° |
| C8 | N1 | C2 | B1 | 112.2° | 90.0° |
| C8 | N1 | C2 | H2 | 6.8° | 29.9° |
| N1 | C8 | C7 | N5 | 153.9° | 179.5° |
| N1 | C8 | C7 | O3 | 172.2° | 180.0° |
| N1 | C8 | C7 | C9 | 94.5° | 61.4° |
| N1 | C8 | C7 | H7 | 30.1° | 59.6° |
| HN1 | N1 | C2 | B1 | 67.8° | 90.0° |
| HN1 | N1 | C2 | H2 | 173.2° | 150.0° |
| HN1 | N1 | C8 | C7 | 1.7° | 0.1° |
| HN1 | N1 | C8 | O3 | 173.3° | 180.0° |
| C2 | B1 | O2 | O1 | 112.5° | 180.0° |
| C2 | B1 | O2 | HO2 | 180.0° | 180.0° |
| C2 | B1 | O1 | HO1 | 180.0° | 0.0° |
| O2 | B1 | C2 | H2 | 44.4° | 180.0° |
| O2 | B1 | O1 | HO1 | 67.8° | 180.0° |
| O1 | B1 | C2 | H2 | 62.8° | 0.0° |
| O1 | B1 | O2 | HO2 | 67.5° | 0.0° |
| C7 | N5 | C11 | C12 | 179.9° | 179.8° |
| N5 | C7 | C8 | C9 | 111.6° | 118.0° |
| N5 | C7 | C8 | H7 | 123.8° | 120.9° |
| N5 | C7 | C9 | H7 | 123.3° | 119.0° |
| N5 | C7 | C8 | O3 | 33.9° | 0.5° |
| N5 | C7 | C9 | C10 | 12.7° | 21.8° |
| N5 | C7 | C9 | H91 | 138.0° | 140.3° |
| N5 | C7 | C9 | H92 | 112.5° | 96.5° |
| C7 | N5 | C11 | C10 | 11.1° | 24.3° |
| C7 | N5 | C11 | H111 | 136.3° | 143.2° |
| C7 | N5 | C11 | H112 | 114.2° | 94.5° |
| C7 | N5 | C12 | O4 | 20.3° | 0.3° |
| C7 | N5 | C12 | C14 | 176.8° | 179.7° |
| C11 | N5 | C7 | C8 | 98.3° | 118.3° |
| C11 | N5 | C7 | C9 | 14.9° | 1.4° |
| C11 | N5 | C7 | H7 | 139.2° | 120.6° |
| N5 | C11 | C10 | C9 | 2.3° | 37.0° |
| N5 | C11 | C10 | H111 | 125.3° | 118.9° |
| N5 | C11 | C10 | H112 | 125.3° | 118.8° |
| N5 | C11 | C10 | H101 | 127.6° | 81.1° |
| N5 | C11 | C10 | H102 | 123.0° | 155.1° |
| N5 | C11 | H111 | H112 | 119.5° | 122.3° |
| C11 | N5 | C12 | O4 | 159.8° | 180.0° |
| C11 | N5 | C12 | C14 | 3.1° | 0.0° |
| C12 | N5 | C7 | C8 | 81.8° | 61.5° |
| C12 | N5 | C7 | C9 | 165.0° | 178.8° |
| C12 | N5 | C7 | H7 | 40.7° | 59.6° |
| C12 | N5 | C11 | C10 | 168.8° | 155.9° |
| C12 | N5 | C11 | H111 | 43.6° | 37.0° |
| C12 | N5 | C11 | H112 | 65.9° | 85.3° |
| N5 | C12 | O4 | C14 | 161.7° | 180.0° |
| N5 | C12 | C14 | C13 | 113.3° | 90.0° |
| N5 | C12 | C14 | N6 | 123.6° | 150.0° |
| N5 | C12 | C14 | H14 | 1.9° | 30.0° |
| C8 | C7 | C9 | H7 | 122.4° | 121.0° |
| C8 | C7 | C9 | C10 | 101.6° | 141.7° |
| C8 | C7 | C9 | H91 | 23.7° | 99.7° |
| C8 | C7 | C9 | H92 | 133.2° | 23.4° |
| C9 | C7 | C8 | O3 | 77.7° | 118.5° |
| C7 | C9 | C10 | H91 | 125.3° | 118.6° |
| C7 | C9 | C10 | H92 | 125.2° | 118.2° |
| C7 | C9 | H91 | H92 | 118.5° | 123.0° |
| C7 | C9 | C10 | C11 | 6.5° | 35.3° |
| C7 | C9 | C10 | H101 | 118.8° | 82.8° |
| C7 | C9 | C10 | H102 | 131.8° | 153.5° |
| H7 | C7 | C8 | O3 | 157.7° | 120.5° |
| H7 | C7 | C9 | C10 | 136.0° | 97.2° |
| H7 | C7 | C9 | H91 | 98.7° | 21.3° |
| H7 | C7 | C9 | H92 | 10.8° | 144.4° |
| C10 | C9 | H91 | H92 | 118.4° | 123.2° |
| C9 | C10 | C11 | H101 | 125.3° | 118.1° |
| C9 | C10 | C11 | H102 | 125.3° | 118.1° |
| C9 | C10 | H101 | H102 | 119.6° | 123.9° |
| C9 | C10 | C11 | H111 | 127.5° | 155.8° |
| C9 | C10 | C11 | H112 | 123.0° | 81.8° |
| H91 | C9 | C10 | C11 | 131.8° | 153.9° |
| H91 | C9 | C10 | H101 | 6.5° | 35.8° |
| H91 | C9 | C10 | H102 | 102.9° | 87.9° |
| H92 | C9 | C10 | C11 | 118.7° | 82.9° |
| H92 | C9 | C10 | H101 | 116.0° | 159.0° |
| H92 | C9 | C10 | H102 | 6.5° | 35.2° |
| C11 | C10 | H101 | H102 | 119.5° | 124.0° |
| C10 | C11 | H111 | H112 | 119.5° | 122.3° |
| H101 | C10 | C11 | H111 | 107.2° | 37.8° |
| H101 | C10 | C11 | H112 | 2.3° | 160.1° |
| H102 | C10 | C11 | H111 | 2.2° | 86.0° |
| H102 | C10 | C11 | H112 | 111.7° | 36.3° |
| O4 | C12 | C14 | C13 | 83.6° | 90.0° |
| O4 | C12 | C14 | N6 | 39.5° | 30.0° |
| O4 | C12 | C14 | H14 | 161.2° | 150.0° |
| C12 | C14 | C13 | N6 | 122.7° | 120.0° |
| C12 | C14 | C13 | H14 | 115.7° | 120.0° |
| C12 | C14 | N6 | H14 | 116.5° | 120.0° |
| C12 | C14 | C13 | C21 | 73.7° | 180.0° |
| C12 | C14 | C13 | H131 | 51.6° | 60.0° |
| C12 | C14 | C13 | H132 | 161.1° | 59.9° |
| C12 | C14 | N6 | HN61 | 180.0° | 60.0° |
| C12 | C14 | N6 | HN62 | 54.8° | 53.8° |
| C13 | C14 | N6 | H14 | 115.9° | 119.9° |
| C14 | C13 | C21 | H131 | 125.3° | 120.0° |
| C14 | C13 | C21 | H132 | 125.3° | 120.0° |
| C14 | C13 | H131 | H132 | 114.9° | 119.9° |
| C13 | C14 | N6 | HN61 | 52.4° | 60.0° |
| C13 | C14 | N6 | HN62 | 177.6° | 173.8° |
| C14 | C13 | C21 | C20 | 151.8° | 90.0° |
| C14 | C13 | C21 | C22 | 37.0° | 90.2° |
| N6 | C14 | C13 | C21 | 163.6° | 60.0° |
| N6 | C14 | C13 | H131 | 71.1° | 180.0° |
| N6 | C14 | C13 | H132 | 38.4° | 60.1° |
| C14 | N6 | HN61 | HN62 | 125.2° | 113.8° |
| H14 | C14 | C13 | C21 | 42.1° | 60.0° |
| H14 | C14 | C13 | H131 | 167.3° | 60.1° |
| H14 | C14 | C13 | H132 | 83.2° | 180.0° |
| H14 | C14 | N6 | HN61 | 63.5° | 180.0° |
| H14 | C14 | N6 | HN62 | 61.7° | 66.3° |
| C16 | C23 | C5 | C6 | 177.1° | 179.8° |
| C16 | C23 | C5 | C25 | 1.5° | 0.2° |
| C16 | C23 | C5 | H5 | 178.6° | 179.8° |
| C16 | C23 | C6 | N2 | 169.7° | 160.1° |
| H16 | C16 | C23 | C5 | 179.5° | 180.0° |
| H16 | C16 | C23 | C6 | 3.6° | 0.2° |
| C23 | C5 | C25 | C24 | 0.7° | 0.0° |
| C23 | C5 | C25 | H5 | 180.0° | 180.0° |
| C23 | C5 | C25 | H25 | 179.3° | 180.0° |
| C5 | C23 | C6 | N2 | 13.2° | 19.8° |
| C6 | C23 | C5 | C25 | 175.6° | 180.0° |
| C6 | C23 | C5 | H5 | 4.4° | 0.0° |
| C24 | C25 | C5 | H25 | 180.0° | 180.0° |
| C24 | C25 | C5 | H5 | 179.4° | 180.0° |
| H24 | C24 | C25 | C5 | 178.9° | 180.0° |
| H24 | C24 | C25 | H25 | 1.0° | 0.0° |
| H25 | C25 | C5 | H5 | 0.7° | 0.0° |
| C21 | C13 | H131 | H132 | 114.8° | 120.0° |
| C13 | C21 | C22 | C17 | 169.7° | 179.8° |
| C13 | C21 | C20 | C19 | 170.0° | 179.9° |
| C13 | C21 | C20 | C22 | 171.7° | 179.8° |
| C13 | C21 | C20 | H20 | 10.0° | 0.0° |
| C13 | C21 | C22 | H22 | 10.3° | 0.1° |
| H131 | C13 | C21 | C20 | 26.5° | 30.0° |
| H131 | C13 | C21 | C22 | 162.3° | 149.7° |
| H132 | C13 | C21 | C20 | 82.9° | 149.9° |
| H132 | C13 | C21 | C22 | 88.3° | 29.8° |
| C18 | C17 | C22 | H17 | 180.0° | 179.9° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.5° | 0.1° |
| C17 | C18 | C19 | H19 | 179.5° | 180.0° |
| C18 | C17 | C22 | C21 | 0.6° | 0.4° |
| C18 | C17 | C22 | H22 | 179.4° | 179.9° |
| C22 | C17 | C18 | C19 | 0.5° | 0.2° |
| C22 | C17 | C18 | H18 | 179.4° | 179.9° |
| C17 | C22 | C21 | C20 | 1.6° | 0.4° |
| C17 | C22 | C21 | H22 | 180.0° | 179.7° |
| H17 | C17 | C18 | C19 | 179.5° | 179.9° |
| H17 | C17 | C18 | H18 | 0.5° | 0.0° |
| H17 | C17 | C22 | C21 | 179.4° | 179.7° |
| H17 | C17 | C22 | H22 | 0.6° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.7° | 0.1° |
| C18 | C19 | C20 | H20 | 179.4° | 180.0° |
| H18 | C18 | C19 | C20 | 179.5° | 180.0° |
| H18 | C18 | C19 | H19 | 0.5° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 1.7° | 0.3° |
| H19 | C19 | C20 | C21 | 179.3° | 180.0° |
| H19 | C19 | C20 | H20 | 0.6° | 0.1° |
| C20 | C21 | C22 | H22 | 178.4° | 179.9° |
| H20 | C20 | C21 | C22 | 178.3° | 179.8° |
