561
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | sing | 1.47Å | 1.42Å | Aromatic |
| C1 | C3 | doub | 1.39Å | 1.50Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.49Å | Aromatic |
| C2 | O2 | sing | 1.35Å | 1.33Å | Aromatic |
| C2 | C5 | doub | 1.39Å | 1.56Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C21 | sing | 1.47Å | 1.14Å | |
| C4 | C7 | doub | 1.41Å | 1.72Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.44Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C9 | sing | 1.51Å | 1.28Å | |
| C6 | C8 | doub | 1.34Å | 1.47Å | Aromatic |
| C7 | O1 | sing | 1.36Å | 1.46Å | |
| C8 | O2 | sing | 1.34Å | 1.44Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C21 | O4 | doub | 1.21Å | 1.51Å | |
| C21 | O5 | sing | 1.35Å | 1.17Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C9 | N3 | sing | 1.48Å | 1.35Å | |
| C9 | C10 | sing | 1.54Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| N3 | N1 | sing | 1.46Å | 1.40Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| N1 | N2 | sing | 1.47Å | 1.42Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N2 | C33 | sing | 1.47Å | 1.19Å | |
| N2 | C10 | sing | 1.49Å | 1.34Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C31 | C33 | sing | 1.53Å | 1.52Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | C34 | sing | 1.51Å | 1.39Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | N11 | sing | 1.35Å | 1.37Å | |
| C34 | O11 | doub | 1.21Å | 1.25Å | |
| N11 | C42 | sing | 1.40Å | 1.59Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| C41 | C50 | doub | 1.36Å | 1.40Å | Aromatic |
| C41 | C46 | sing | 1.41Å | 1.44Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | C45 | doub | 1.41Å | 1.49Å | Aromatic |
| C42 | C44 | sing | 1.38Å | 1.41Å | Aromatic |
| C43 | C47 | sing | 1.36Å | 1.41Å | Aromatic |
| C43 | C44 | doub | 1.39Å | 1.46Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | C46 | sing | 1.42Å | 1.44Å | Aromatic |
| C45 | C48 | sing | 1.40Å | 1.43Å | Aromatic |
| C46 | C47 | doub | 1.41Å | 1.48Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C48 | C49 | doub | 1.36Å | 1.40Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C49 | C50 | sing | 1.39Å | 1.44Å | Aromatic |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C50 | H50 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C3 | 128.5° | 134.1° |
| C6 | C1 | C2 | 105.3° | 105.5° |
| C1 | C6 | C9 | 126.9° | 127.0° |
| C1 | C6 | C8 | 103.7° | 106.1° |
| C3 | C1 | C2 | 126.1° | 120.5° |
| C1 | C3 | C4 | 113.7° | 119.5° |
| C1 | C3 | H3 | 123.2° | 120.2° |
| C1 | C2 | O2 | 114.8° | 107.2° |
| C1 | C2 | C5 | 118.8° | 119.6° |
| O2 | C2 | C5 | 126.4° | 133.2° |
| C2 | O2 | C8 | 102.7° | 111.0° |
| C2 | C5 | C7 | 120.5° | 120.1° |
| C2 | C5 | H5 | 119.7° | 119.9° |
| C4 | C3 | H3 | 123.2° | 120.3° |
| C3 | C4 | C21 | 122.6° | 120.0° |
| C3 | C4 | C7 | 127.1° | 119.9° |
| C21 | C4 | C7 | 110.3° | 120.1° |
| C4 | C21 | O4 | 133.2° | 120.0° |
| C4 | C21 | O5 | 128.1° | 120.0° |
| C4 | C7 | C5 | 113.7° | 120.4° |
| C4 | C7 | O1 | 132.8° | 119.8° |
| C7 | C5 | H5 | 119.7° | 120.0° |
| C5 | C7 | O1 | 113.5° | 119.8° |
| C9 | C6 | C8 | 129.4° | 126.9° |
| C6 | C9 | N3 | 135.6° | 110.3° |
| C6 | C9 | C10 | 102.4° | 110.3° |
| C6 | C9 | H9 | 95.5° | 110.2° |
| C6 | C8 | O2 | 113.4° | 110.2° |
| C6 | C8 | H8 | 123.3° | 124.8° |
| C7 | O1 | HO1 | 109.5° | 114.0° |
| O2 | C8 | H8 | 123.3° | 124.9° |
| O4 | C21 | O5 | 98.1° | 120.0° |
| C21 | O5 | HO5 | 109.5° | 117.0° |
| N3 | C9 | C10 | 107.5° | 105.3° |
| N3 | C9 | H9 | 88.8° | 110.3° |
| C9 | N3 | N1 | 104.1° | 107.0° |
| C9 | N3 | HN3 | 111.3° | 111.0° |
| C10 | C9 | H9 | 131.2° | 110.4° |
| C9 | C10 | N2 | 110.0° | 103.1° |
| C9 | C10 | H101 | 109.3° | 110.7° |
| C9 | C10 | H102 | 109.1° | 110.7° |
| N1 | N3 | HN3 | 111.3° | 111.0° |
| N3 | N1 | N2 | 115.8° | 105.8° |
| N3 | N1 | HN1 | 107.4° | 111.0° |
| N2 | N1 | HN1 | 107.4° | 111.0° |
| N1 | N2 | C33 | 98.3° | 111.0° |
| N1 | N2 | C10 | 102.5° | 103.1° |
| C33 | N2 | C10 | 125.2° | 110.9° |
| N2 | C33 | C31 | 153.6° | 109.4° |
| N2 | C33 | H331 | 96.7° | 109.5° |
| N2 | C33 | H332 | 89.2° | 109.5° |
| N2 | C10 | H101 | 109.3° | 110.7° |
| N2 | C10 | H102 | 109.2° | 110.6° |
| H101 | C10 | H102 | 109.9° | 110.8° |
| C32 | C31 | C33 | 104.6° | 109.5° |
| C32 | C31 | H311 | 111.1° | 109.5° |
| C32 | C31 | H312 | 112.1° | 109.4° |
| C31 | C32 | C34 | 108.9° | 109.5° |
| C31 | C32 | H321 | 109.7° | 109.4° |
| C31 | C32 | H322 | 109.8° | 109.5° |
| C33 | C31 | H311 | 111.1° | 109.5° |
| C33 | C31 | H312 | 112.2° | 109.5° |
| C31 | C33 | H331 | 96.7° | 109.4° |
| C31 | C33 | H332 | 89.2° | 109.5° |
| H311 | C31 | H312 | 105.8° | 109.5° |
| C34 | C32 | H321 | 109.7° | 109.5° |
| C34 | C32 | H322 | 109.8° | 109.5° |
| C32 | C34 | N11 | 115.0° | 120.0° |
| C32 | C34 | O11 | 129.4° | 119.9° |
| H321 | C32 | H322 | 109.0° | 109.4° |
| H331 | C33 | H332 | 152.9° | 109.5° |
| N11 | C34 | O11 | 115.3° | 120.0° |
| C34 | N11 | C42 | 158.5° | 120.0° |
| C34 | N11 | HN11 | 100.8° | 120.0° |
| C42 | N11 | HN11 | 100.8° | 120.0° |
| N11 | C42 | C45 | 132.9° | 120.3° |
| N11 | C42 | C44 | 110.5° | 120.3° |
| C50 | C41 | C46 | 118.6° | 119.6° |
| C50 | C41 | H41 | 120.7° | 120.2° |
| C41 | C50 | C49 | 118.0° | 121.0° |
| C41 | C50 | H50 | 121.0° | 119.5° |
| C46 | C41 | H41 | 120.7° | 120.2° |
| C41 | C46 | C45 | 125.6° | 119.3° |
| C41 | C46 | C47 | 118.1° | 121.2° |
| C45 | C42 | C44 | 116.6° | 119.4° |
| C42 | C45 | C46 | 124.0° | 119.4° |
| C42 | C45 | C48 | 123.2° | 121.2° |
| C42 | C44 | C43 | 121.5° | 120.7° |
| C42 | C44 | H44 | 119.3° | 119.6° |
| C47 | C43 | C44 | 121.0° | 121.1° |
| C47 | C43 | H43 | 119.5° | 119.4° |
| C43 | C47 | C46 | 120.5° | 119.9° |
| C43 | C47 | H47 | 119.8° | 120.1° |
| C44 | C43 | H43 | 119.5° | 119.4° |
| C43 | C44 | H44 | 119.2° | 119.6° |
| C46 | C45 | C48 | 112.8° | 119.4° |
| C45 | C46 | C47 | 116.4° | 119.5° |
| C45 | C48 | C49 | 123.7° | 119.7° |
| C45 | C48 | H48 | 118.2° | 120.2° |
| C46 | C47 | H47 | 119.8° | 120.0° |
| C49 | C48 | H48 | 118.1° | 120.1° |
| C48 | C49 | C50 | 121.4° | 120.9° |
| C48 | C49 | H49 | 119.3° | 119.5° |
| C50 | C49 | H49 | 119.3° | 119.5° |
| C49 | C50 | H50 | 121.0° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C3 | C2 | 177.3° | 179.7° |
| C6 | C1 | C2 | O2 | 1.7° | 0.0° |
| C6 | C1 | C2 | C5 | 179.7° | 180.0° |
| C6 | C1 | C3 | C4 | 178.4° | 180.0° |
| C6 | C1 | C3 | H3 | 1.6° | 0.1° |
| C1 | C6 | C9 | C8 | 178.6° | 180.0° |
| C1 | C6 | C8 | O2 | 1.0° | 0.4° |
| C1 | C6 | C8 | H8 | 179.0° | 180.0° |
| C1 | C6 | C9 | N3 | 131.0° | 161.5° |
| C1 | C6 | C9 | C10 | 97.4° | 82.6° |
| C1 | C6 | C9 | H9 | 37.0° | 39.5° |
| C3 | C1 | C2 | O2 | 179.5° | 179.7° |
| C3 | C1 | C2 | C5 | 1.9° | 0.3° |
| C1 | C3 | C4 | H3 | 180.0° | 179.9° |
| C1 | C3 | C4 | C21 | 178.1° | 180.0° |
| C1 | C3 | C4 | C7 | 0.3° | 0.0° |
| C3 | C1 | C6 | C9 | 1.9° | 0.0° |
| C3 | C1 | C6 | C8 | 179.2° | 180.0° |
| C1 | C2 | O2 | C5 | 178.5° | 180.0° |
| C2 | C1 | C3 | C4 | 1.1° | 0.3° |
| C2 | C1 | C3 | H3 | 178.9° | 179.8° |
| C1 | C2 | C5 | C7 | 1.2° | 0.1° |
| C1 | C2 | C5 | H5 | 178.8° | 179.9° |
| C2 | C1 | C6 | C9 | 179.7° | 179.7° |
| C2 | C1 | C6 | C8 | 1.5° | 0.3° |
| C1 | C2 | O2 | C8 | 1.0° | 0.3° |
| O2 | C2 | C5 | C7 | 179.6° | 179.9° |
| O2 | C2 | C5 | H5 | 0.3° | 0.1° |
| C2 | O2 | C8 | C6 | 0.0° | 0.5° |
| C2 | O2 | C8 | H8 | 180.0° | 180.0° |
| C2 | C5 | C7 | C4 | 0.0° | 0.3° |
| C2 | C5 | C7 | H5 | 180.0° | 180.0° |
| C2 | C5 | C7 | O1 | 179.6° | 179.9° |
| C5 | C2 | O2 | C8 | 179.5° | 179.7° |
| C3 | C4 | C21 | C7 | 178.2° | 180.0° |
| C3 | C4 | C7 | C5 | 0.8° | 0.3° |
| C3 | C4 | C7 | O1 | 179.7° | 180.0° |
| C3 | C4 | C21 | O4 | 16.8° | 180.0° |
| C3 | C4 | C21 | O5 | 173.7° | 0.0° |
| H3 | C3 | C4 | C21 | 1.8° | 0.1° |
| H3 | C3 | C4 | C7 | 179.7° | 179.9° |
| C21 | C4 | C7 | C5 | 178.9° | 179.7° |
| C21 | C4 | C7 | O1 | 1.6° | 0.0° |
| C4 | C21 | O4 | O5 | 171.7° | 180.0° |
| C4 | C21 | O5 | HO5 | 172.3° | 180.0° |
| C4 | C7 | C5 | O1 | 179.6° | 179.7° |
| C4 | C7 | C5 | H5 | 180.0° | 179.6° |
| C4 | C7 | O1 | HO1 | 154.5° | 90.1° |
| C7 | C4 | C21 | O4 | 161.4° | 0.0° |
| C7 | C4 | C21 | O5 | 8.1° | 180.0° |
| C5 | C7 | O1 | HO1 | 24.9° | 89.7° |
| H5 | C5 | C7 | O1 | 0.4° | 0.1° |
| C9 | C6 | C8 | O2 | 179.8° | 179.5° |
| C9 | C6 | C8 | H8 | 0.2° | 0.0° |
| C6 | C9 | N3 | C10 | 130.1° | 118.9° |
| C6 | C9 | N3 | H9 | 96.7° | 122.0° |
| C6 | C9 | C10 | H9 | 108.9° | 122.0° |
| C6 | C9 | N3 | N1 | 129.9° | 117.7° |
| C6 | C9 | N3 | HN3 | 110.1° | 3.6° |
| C6 | C9 | C10 | N2 | 147.2° | 141.1° |
| C6 | C9 | C10 | H101 | 27.2° | 22.7° |
| C6 | C9 | C10 | H102 | 93.0° | 100.5° |
| C6 | C8 | O2 | H8 | 180.0° | 179.5° |
| C8 | C6 | C9 | N3 | 47.6° | 18.6° |
| C8 | C6 | C9 | C10 | 84.1° | 97.3° |
| C8 | C6 | C9 | H9 | 141.5° | 140.6° |
| O4 | C21 | O5 | HO5 | 0.0° | 0.0° |
| N3 | C9 | C10 | H9 | 104.3° | 119.0° |
| C9 | N3 | N1 | HN3 | 120.0° | 121.3° |
| C9 | N3 | N1 | N2 | 0.8° | 24.9° |
| C9 | N3 | N1 | HN1 | 120.8° | 145.4° |
| N3 | C9 | C10 | N2 | 0.4° | 22.2° |
| N3 | C9 | C10 | H101 | 119.6° | 96.3° |
| N3 | C9 | C10 | H102 | 120.2° | 140.5° |
| C10 | C9 | N3 | N1 | 0.2° | 1.3° |
| C10 | C9 | N3 | HN3 | 119.8° | 122.6° |
| C9 | C10 | N2 | N1 | 0.8° | 37.1° |
| C9 | C10 | N2 | C33 | 110.5° | 156.0° |
| C9 | C10 | N2 | H101 | 120.0° | 118.4° |
| C9 | C10 | N2 | H102 | 119.8° | 118.3° |
| C9 | C10 | H101 | H102 | 119.8° | 123.2° |
| H9 | C9 | N3 | N1 | 133.5° | 120.4° |
| H9 | C9 | N3 | HN3 | 13.4° | 118.3° |
| H9 | C9 | C10 | N2 | 103.9° | 96.9° |
| H9 | C9 | C10 | H101 | 136.1° | 144.7° |
| H9 | C9 | C10 | H102 | 15.9° | 21.5° |
| N3 | N1 | N2 | HN1 | 120.0° | 120.5° |
| N3 | N1 | N2 | C33 | 130.0° | 157.9° |
| N3 | N1 | N2 | C10 | 1.1° | 39.0° |
| HN3 | N3 | N1 | N2 | 119.2° | 146.2° |
| HN3 | N3 | N1 | HN1 | 0.8° | 93.3° |
| N1 | N2 | C33 | C10 | 111.7° | 114.1° |
| N1 | N2 | C10 | H101 | 119.2° | 81.3° |
| N1 | N2 | C10 | H102 | 120.6° | 155.4° |
| N1 | N2 | C33 | C31 | 115.1° | 64.9° |
| N1 | N2 | C33 | H331 | 4.9° | 55.1° |
| N1 | N2 | C33 | H332 | 158.4° | 175.1° |
| HN1 | N1 | N2 | C33 | 109.9° | 81.6° |
| HN1 | N1 | N2 | C10 | 121.1° | 159.5° |
| C33 | N2 | C10 | H101 | 9.5° | 37.6° |
| C33 | N2 | C10 | H102 | 129.7° | 85.7° |
| N2 | C33 | C31 | C32 | 27.2° | 179.9° |
| N2 | C33 | C31 | H331 | 120.0° | 120.0° |
| N2 | C33 | C31 | H332 | 86.6° | 120.0° |
| N2 | C33 | C31 | H311 | 147.2° | 60.0° |
| N2 | C33 | C31 | H312 | 94.6° | 60.1° |
| N2 | C33 | H331 | H332 | 101.4° | 120.0° |
| N2 | C10 | H101 | H102 | 119.8° | 123.2° |
| C10 | N2 | C33 | C31 | 133.2° | 178.9° |
| C10 | N2 | C33 | H331 | 106.8° | 59.0° |
| C10 | N2 | C33 | H332 | 46.6° | 61.1° |
| C32 | C31 | C33 | H311 | 120.0° | 120.1° |
| C32 | C31 | C33 | H312 | 121.8° | 119.9° |
| C32 | C31 | H311 | H312 | 121.9° | 119.9° |
| C31 | C32 | C34 | H321 | 120.0° | 119.9° |
| C31 | C32 | C34 | H322 | 120.2° | 120.1° |
| C31 | C32 | H321 | H322 | 120.2° | 120.0° |
| C32 | C31 | C33 | H331 | 147.2° | 60.0° |
| C32 | C31 | C33 | H332 | 59.4° | 60.0° |
| C31 | C32 | C34 | N11 | 154.5° | 180.0° |
| C31 | C32 | C34 | O11 | 32.4° | 0.1° |
| C33 | C31 | H311 | H312 | 122.0° | 120.0° |
| C33 | C31 | C32 | C34 | 174.1° | 180.0° |
| C33 | C31 | C32 | H321 | 65.9° | 60.0° |
| C33 | C31 | C32 | H322 | 53.9° | 59.9° |
| C31 | C33 | H331 | H332 | 101.4° | 120.0° |
| H311 | C31 | C32 | C34 | 65.9° | 59.9° |
| H311 | C31 | C32 | H321 | 54.1° | 60.1° |
| H311 | C31 | C32 | H322 | 173.9° | 180.0° |
| H311 | C31 | C33 | H331 | 92.8° | 60.1° |
| H311 | C31 | C33 | H332 | 60.6° | 179.9° |
| H312 | C31 | C32 | C34 | 52.3° | 60.1° |
| H312 | C31 | C32 | H321 | 172.3° | 180.0° |
| H312 | C31 | C32 | H322 | 67.9° | 60.0° |
| H312 | C31 | C33 | H331 | 25.4° | 179.9° |
| H312 | C31 | C33 | H332 | 178.8° | 59.9° |
| C34 | C32 | H321 | H322 | 120.3° | 120.0° |
| C32 | C34 | N11 | O11 | 174.1° | 179.9° |
| C32 | C34 | N11 | C42 | 126.2° | 175.4° |
| C32 | C34 | N11 | HN11 | 53.8° | 4.5° |
| H321 | C32 | C34 | N11 | 85.5° | 60.0° |
| H321 | C32 | C34 | O11 | 87.6° | 120.0° |
| H322 | C32 | C34 | N11 | 34.3° | 59.9° |
| H322 | C32 | C34 | O11 | 152.7° | 120.0° |
| C34 | N11 | C42 | HN11 | 180.0° | 180.0° |
| C34 | N11 | C42 | C45 | 35.0° | 145.3° |
| C34 | N11 | C42 | C44 | 144.1° | 34.8° |
| O11 | C34 | N11 | C42 | 59.7° | 4.5° |
| O11 | C34 | N11 | HN11 | 120.3° | 175.5° |
| N11 | C42 | C45 | C44 | 179.1° | 180.0° |
| N11 | C42 | C44 | C43 | 176.6° | 180.0° |
| N11 | C42 | C44 | H44 | 3.4° | 0.0° |
| N11 | C42 | C45 | C46 | 176.6° | 180.0° |
| N11 | C42 | C45 | C48 | 1.9° | 0.0° |
| HN11 | N11 | C42 | C45 | 145.0° | 34.7° |
| HN11 | N11 | C42 | C44 | 35.9° | 145.2° |
| C50 | C41 | C46 | H41 | 180.0° | 179.7° |
| C50 | C41 | C46 | C45 | 1.3° | 0.0° |
| C50 | C41 | C46 | C47 | 179.6° | 180.0° |
| C41 | C50 | C49 | C48 | 0.2° | 0.0° |
| C41 | C50 | C49 | H50 | 180.0° | 180.0° |
| C41 | C50 | C49 | H49 | 179.8° | 179.9° |
| C41 | C46 | C45 | C42 | 179.9° | 180.0° |
| C41 | C46 | C47 | C43 | 179.4° | 180.0° |
| C41 | C46 | C45 | C47 | 178.3° | 180.0° |
| C41 | C46 | C45 | C48 | 1.5° | 0.0° |
| C41 | C46 | C47 | H47 | 0.7° | 0.0° |
| C46 | C41 | C50 | C49 | 0.6° | 0.0° |
| C46 | C41 | C50 | H50 | 179.4° | 180.0° |
| H41 | C41 | C46 | C45 | 178.7° | 179.7° |
| H41 | C41 | C46 | C47 | 0.4° | 0.3° |
| H41 | C41 | C50 | C49 | 179.4° | 179.7° |
| H41 | C41 | C50 | H50 | 0.6° | 0.3° |
| C45 | C42 | C44 | C43 | 2.7° | 0.0° |
| C45 | C42 | C44 | H44 | 177.3° | 180.0° |
| C42 | C45 | C46 | C48 | 178.6° | 180.0° |
| C42 | C45 | C46 | C47 | 1.7° | 0.0° |
| C42 | C45 | C48 | C49 | 179.6° | 180.0° |
| C42 | C45 | C48 | H48 | 0.4° | 0.0° |
| C42 | C44 | C43 | C47 | 2.2° | 0.0° |
| C42 | C44 | C43 | H44 | 180.0° | 180.0° |
| C42 | C44 | C43 | H43 | 177.8° | 180.0° |
| C44 | C42 | C45 | C46 | 2.5° | 0.0° |
| C44 | C42 | C45 | C48 | 179.0° | 180.0° |
| C47 | C43 | C44 | H43 | 180.0° | 179.9° |
| C47 | C43 | C44 | H44 | 177.8° | 180.0° |
| C43 | C47 | C46 | C45 | 1.0° | 0.1° |
| C43 | C47 | C46 | H47 | 180.0° | 179.9° |
| C44 | C43 | C47 | C46 | 1.2° | 0.1° |
| C44 | C43 | C47 | H47 | 178.8° | 180.0° |
| H43 | C43 | C44 | H44 | 2.2° | 0.0° |
| H43 | C43 | C47 | C46 | 178.8° | 180.0° |
| H43 | C43 | C47 | H47 | 1.2° | 0.1° |
| C45 | C46 | C47 | H47 | 179.1° | 180.0° |
| C46 | C45 | C48 | C49 | 1.0° | 0.0° |
| C46 | C45 | C48 | H48 | 179.0° | 179.9° |
| C48 | C45 | C46 | C47 | 179.7° | 180.0° |
| C45 | C48 | C49 | H48 | 180.0° | 180.0° |
| C45 | C48 | C49 | C50 | 0.5° | 0.0° |
| C45 | C48 | C49 | H49 | 179.5° | 180.0° |
| C48 | C49 | C50 | H49 | 180.0° | 180.0° |
| C48 | C49 | C50 | H50 | 179.8° | 180.0° |
| H48 | C48 | C49 | C50 | 179.5° | 180.0° |
| H48 | C48 | C49 | H49 | 0.5° | 0.0° |
| H49 | C49 | C50 | H50 | 0.2° | 0.0° |
