R86
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C48 | O47 | sing | 1.43Å | 1.43Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| O47 | C44 | sing | 1.36Å | 1.37Å | |
| C44 | C45 | doub | 1.39Å | 1.40Å | Aromatic |
| C44 | C43 | sing | 1.40Å | 1.41Å | Aromatic |
| C45 | C46 | sing | 1.39Å | 1.40Å | Aromatic |
| C45 | H45 | sing | 1.09Å | 1.08Å | |
| C46 | C41 | doub | 1.39Å | 1.40Å | Aromatic |
| C46 | H46 | sing | 1.09Å | 1.08Å | |
| C43 | C42 | doub | 1.39Å | 1.41Å | Aromatic |
| C43 | H43 | sing | 1.09Å | 1.08Å | |
| C42 | C41 | sing | 1.39Å | 1.41Å | Aromatic |
| C42 | H42 | sing | 1.09Å | 1.08Å | |
| C41 | C38 | sing | 1.51Å | 1.53Å | |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C38 | H381 | sing | 1.10Å | 1.10Å | |
| C38 | H382 | sing | 1.10Å | 1.10Å | |
| C37 | N35 | sing | 1.44Å | 1.48Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| N35 | C33 | sing | 1.39Å | 1.34Å | |
| N35 | HN35 | sing | 1.02Å | 1.00Å | |
| C33 | C32 | sing | 1.51Å | 1.54Å | |
| C33 | O34 | doub | 1.23Å | 1.23Å | |
| C32 | C25 | sing | 1.53Å | 1.56Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.54Å | 1.55Å | |
| C25 | N24 | sing | 1.47Å | 1.50Å | |
| C25 | H25 | sing | 1.10Å | 1.10Å | |
| C26 | N21 | sing | 1.47Å | 1.50Å | |
| C26 | H261 | sing | 1.10Å | 1.10Å | |
| C26 | H262 | sing | 1.10Å | 1.10Å | |
| N24 | C27 | sing | 1.40Å | 1.36Å | |
| N24 | C23 | sing | 1.47Å | 1.50Å | |
| C27 | O28 | doub | 1.23Å | 1.23Å | |
| C27 | C29 | sing | 1.51Å | 1.54Å | |
| C29 | C30 | sing | 1.52Å | 1.53Å | |
| C29 | C31 | sing | 1.52Å | 1.53Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.10Å | 1.10Å | |
| C31 | H312 | sing | 1.10Å | 1.10Å | |
| C31 | H313 | sing | 1.10Å | 1.10Å | |
| C30 | H301 | sing | 1.10Å | 1.10Å | |
| C30 | H302 | sing | 1.10Å | 1.10Å | |
| C30 | H303 | sing | 1.10Å | 1.10Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.10Å | 1.10Å | |
| C22 | N21 | sing | 1.46Å | 1.48Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C22 | H222 | sing | 1.10Å | 1.10Å | |
| N21 | C13 | sing | 1.39Å | 1.42Å | |
| C13 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | N12 | doub | 1.37Å | 1.35Å | Aromatic |
| N12 | C11 | sing | 1.35Å | 1.36Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C17 | sing | 1.49Å | 1.53Å | |
| C15 | N16 | sing | 1.35Å | 1.35Å | Aromatic |
| C17 | H171 | sing | 1.10Å | 1.10Å | |
| C17 | H172 | sing | 1.10Å | 1.10Å | |
| C17 | H173 | sing | 1.10Å | 1.10Å | |
| N16 | C11 | doub | 1.35Å | 1.35Å | Aromatic |
| C11 | N3 | sing | 1.39Å | 1.33Å | Aromatic |
| N3 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| N3 | C2 | sing | 1.37Å | 1.33Å | Aromatic |
| C4 | C5 | doub | 1.37Å | 1.32Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | NFE | sing | 1.37Å | 1.34Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| NFE | C2 | doub | 1.31Å | 1.32Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O47 | C48 | H481 | 109.5° | 109.5° |
| O47 | C48 | H482 | 109.5° | 109.5° |
| O47 | C48 | H483 | 109.4° | 108.9° |
| C48 | O47 | C44 | 111.0° | 117.1° |
| H481 | C48 | H482 | 109.5° | 110.1° |
| H481 | C48 | H483 | 109.5° | 109.4° |
| H482 | C48 | H483 | 109.5° | 109.3° |
| O47 | C44 | C45 | 119.8° | 120.0° |
| O47 | C44 | C43 | 120.5° | 120.0° |
| C45 | C44 | C43 | 119.7° | 119.9° |
| C44 | C45 | C46 | 120.4° | 120.1° |
| C44 | C45 | H45 | 119.8° | 120.3° |
| C44 | C43 | C42 | 119.9° | 120.0° |
| C44 | C43 | H43 | 120.1° | 120.3° |
| C46 | C45 | H45 | 119.8° | 119.6° |
| C45 | C46 | C41 | 120.0° | 119.3° |
| C45 | C46 | H46 | 120.0° | 119.5° |
| C41 | C46 | H46 | 120.0° | 121.2° |
| C46 | C41 | C42 | 119.8° | 121.3° |
| C46 | C41 | C38 | 120.3° | 119.3° |
| C42 | C43 | H43 | 120.0° | 119.7° |
| C43 | C42 | C41 | 120.1° | 119.4° |
| C43 | C42 | H42 | 119.9° | 119.4° |
| C41 | C42 | H42 | 119.9° | 121.1° |
| C42 | C41 | C38 | 119.8° | 119.4° |
| C41 | C38 | C37 | 111.7° | 113.0° |
| C41 | C38 | H381 | 108.7° | 108.5° |
| C41 | C38 | H382 | 108.2° | 109.8° |
| C37 | C38 | H381 | 108.7° | 109.2° |
| C37 | C38 | H382 | 108.2° | 110.1° |
| C38 | C37 | N35 | 110.9° | 112.6° |
| C38 | C37 | H371 | 109.0° | 109.9° |
| C38 | C37 | H372 | 108.7° | 111.6° |
| H381 | C38 | H382 | 111.2° | 106.0° |
| N35 | C37 | H371 | 109.0° | 106.7° |
| N35 | C37 | H372 | 108.7° | 107.6° |
| C37 | N35 | C33 | 123.2° | 123.2° |
| C37 | N35 | HN35 | 118.4° | 118.4° |
| H371 | C37 | H372 | 110.6° | 108.2° |
| C33 | N35 | HN35 | 118.4° | 118.4° |
| N35 | C33 | C32 | 114.6° | 111.0° |
| N35 | C33 | O34 | 124.0° | 125.2° |
| C32 | C33 | O34 | 121.3° | 123.7° |
| C33 | C32 | C25 | 117.2° | 112.1° |
| C33 | C32 | H321 | 107.0° | 109.1° |
| C33 | C32 | H322 | 105.2° | 109.2° |
| C25 | C32 | H321 | 107.0° | 108.9° |
| C25 | C32 | H322 | 105.2° | 108.8° |
| C32 | C25 | C26 | 112.4° | 111.9° |
| C32 | C25 | N24 | 113.0° | 111.1° |
| C32 | C25 | H25 | 106.2° | 106.3° |
| H321 | C32 | H322 | 115.7° | 108.7° |
| C26 | C25 | N24 | 113.3° | 111.9° |
| C26 | C25 | H25 | 105.9° | 107.7° |
| C25 | C26 | N21 | 115.3° | 111.5° |
| C25 | C26 | H261 | 107.6° | 109.4° |
| C25 | C26 | H262 | 106.3° | 109.7° |
| N24 | C25 | H25 | 105.2° | 107.6° |
| C25 | N24 | C27 | 119.2° | 119.1° |
| C25 | N24 | C23 | 120.7° | 117.0° |
| N21 | C26 | H261 | 107.6° | 110.4° |
| N21 | C26 | H262 | 106.2° | 108.4° |
| C26 | N21 | C22 | 120.3° | 118.4° |
| C26 | N21 | C13 | 120.2° | 121.1° |
| H261 | C26 | H262 | 114.2° | 107.3° |
| C27 | N24 | C23 | 120.1° | 123.7° |
| N24 | C27 | O28 | 119.3° | 124.1° |
| N24 | C27 | C29 | 120.8° | 116.4° |
| N24 | C23 | C22 | 109.0° | 113.0° |
| N24 | C23 | H231 | 109.6° | 109.8° |
| N24 | C23 | H232 | 109.7° | 106.6° |
| O28 | C27 | C29 | 119.9° | 119.5° |
| C27 | C29 | C30 | 109.6° | 110.5° |
| C27 | C29 | C31 | 109.5° | 110.0° |
| C27 | C29 | H29 | 109.8° | 107.4° |
| C30 | C29 | C31 | 110.7° | 111.3° |
| C30 | C29 | H29 | 108.6° | 108.6° |
| C29 | C30 | H301 | 109.5° | 111.2° |
| C29 | C30 | H302 | 109.5° | 111.7° |
| C29 | C30 | H303 | 109.5° | 110.3° |
| C31 | C29 | H29 | 108.6° | 109.0° |
| C29 | C31 | H311 | 109.5° | 111.7° |
| C29 | C31 | H312 | 109.5° | 111.2° |
| C29 | C31 | H313 | 109.4° | 110.3° |
| H311 | C31 | H312 | 109.5° | 107.8° |
| H311 | C31 | H313 | 109.4° | 107.9° |
| H312 | C31 | H313 | 109.5° | 107.7° |
| H301 | C30 | H302 | 109.4° | 107.8° |
| H301 | C30 | H303 | 109.4° | 107.7° |
| H302 | C30 | H303 | 109.5° | 107.9° |
| C22 | C23 | H231 | 109.6° | 109.8° |
| C22 | C23 | H232 | 109.8° | 110.2° |
| C23 | C22 | N21 | 109.1° | 111.2° |
| C23 | C22 | H221 | 109.6° | 108.9° |
| C23 | C22 | H222 | 109.6° | 110.0° |
| H231 | C23 | H232 | 109.1° | 107.3° |
| N21 | C22 | H221 | 109.5° | 110.3° |
| N21 | C22 | H222 | 109.6° | 108.8° |
| C22 | N21 | C13 | 119.4° | 120.5° |
| H221 | C22 | H222 | 109.3° | 107.5° |
| N21 | C13 | C14 | 121.2° | 119.1° |
| N21 | C13 | N12 | 119.5° | 120.6° |
| C14 | C13 | N12 | 119.2° | 120.3° |
| C13 | C14 | C15 | 118.4° | 117.4° |
| C13 | C14 | H14 | 120.8° | 120.7° |
| C13 | N12 | C11 | 121.2° | 116.7° |
| N12 | C11 | N16 | 120.2° | 126.9° |
| N12 | C11 | N3 | 119.6° | 116.5° |
| C15 | C14 | H14 | 120.8° | 122.0° |
| C14 | C15 | C17 | 120.3° | 119.5° |
| C14 | C15 | N16 | 120.0° | 123.7° |
| C17 | C15 | N16 | 119.8° | 116.8° |
| C15 | C17 | H171 | 109.5° | 110.3° |
| C15 | C17 | H172 | 109.5° | 111.3° |
| C15 | C17 | H173 | 109.5° | 111.3° |
| C15 | N16 | C11 | 121.0° | 115.0° |
| H171 | C17 | H172 | 109.4° | 108.5° |
| H171 | C17 | H173 | 109.5° | 108.6° |
| H172 | C17 | H173 | 109.5° | 106.9° |
| N16 | C11 | N3 | 120.1° | 116.6° |
| C11 | N3 | C4 | 126.5° | 126.4° |
| C11 | N3 | C2 | 125.6° | 126.4° |
| C4 | N3 | C2 | 107.9° | 107.2° |
| N3 | C4 | C5 | 107.7° | 104.9° |
| N3 | C4 | H4 | 126.2° | 122.8° |
| N3 | C2 | NFE | 108.5° | 111.9° |
| N3 | C2 | H2 | 125.8° | 122.6° |
| C5 | C4 | H4 | 126.1° | 132.3° |
| C4 | C5 | NFE | 108.2° | 111.2° |
| C4 | C5 | H5 | 125.9° | 127.5° |
| NFE | C5 | H5 | 125.9° | 121.3° |
| C5 | NFE | C2 | 107.7° | 104.7° |
| NFE | C2 | H2 | 125.7° | 125.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O47 | C48 | H481 | H482 | 120.0° | 120.5° |
| O47 | C48 | H481 | H483 | 120.0° | 119.3° |
| O47 | C48 | H482 | H483 | 120.0° | 119.3° |
| C48 | O47 | C44 | C45 | 88.8° | 0.0° |
| C48 | O47 | C44 | C43 | 93.0° | 179.9° |
| H481 | C48 | H482 | H483 | 120.0° | 120.2° |
| H481 | C48 | O47 | C44 | 161.3° | 100.4° |
| H482 | C48 | O47 | C44 | 41.3° | 138.7° |
| H483 | C48 | O47 | C44 | 78.7° | 19.2° |
| O47 | C44 | C45 | C43 | 178.2° | 179.9° |
| O47 | C44 | C45 | C46 | 177.7° | 179.9° |
| O47 | C44 | C45 | H45 | 2.3° | 0.1° |
| O47 | C44 | C43 | C42 | 177.6° | 179.9° |
| O47 | C44 | C43 | H43 | 2.4° | 0.0° |
| C44 | C45 | C46 | H45 | 180.0° | 180.0° |
| C44 | C45 | C46 | C41 | 0.1° | 0.0° |
| C44 | C45 | C46 | H46 | 179.9° | 180.0° |
| C45 | C44 | C43 | C42 | 0.6° | 0.0° |
| C45 | C44 | C43 | H43 | 179.4° | 179.9° |
| C43 | C44 | C45 | C46 | 0.5° | 0.0° |
| C43 | C44 | C45 | H45 | 179.5° | 180.0° |
| C44 | C43 | C42 | H43 | 180.0° | 180.0° |
| C44 | C43 | C42 | C41 | 0.1° | 0.0° |
| C44 | C43 | C42 | H42 | 179.9° | 180.0° |
| C45 | C46 | C41 | H46 | 180.0° | 180.0° |
| C45 | C46 | C41 | C42 | 0.6° | 0.1° |
| C45 | C46 | C41 | C38 | 177.2° | 180.0° |
| H45 | C45 | C46 | C41 | 179.9° | 180.0° |
| H45 | C45 | C46 | H46 | 0.1° | 0.0° |
| C46 | C41 | C42 | C43 | 0.5° | 0.1° |
| C46 | C41 | C42 | C38 | 177.8° | 180.0° |
| C46 | C41 | C42 | H42 | 179.5° | 180.0° |
| C46 | C41 | C38 | C37 | 65.7° | 90.0° |
| C46 | C41 | C38 | H381 | 174.3° | 148.7° |
| C46 | C41 | C38 | H382 | 53.3° | 33.3° |
| H46 | C46 | C41 | C42 | 179.4° | 179.9° |
| H46 | C46 | C41 | C38 | 2.8° | 0.0° |
| C43 | C42 | C41 | H42 | 180.0° | 179.9° |
| C43 | C42 | C41 | C38 | 177.3° | 180.0° |
| H43 | C43 | C42 | C41 | 179.9° | 179.9° |
| H43 | C43 | C42 | H42 | 0.1° | 0.0° |
| C42 | C41 | C38 | C37 | 112.0° | 90.0° |
| C42 | C41 | C38 | H381 | 8.0° | 31.3° |
| C42 | C41 | C38 | H382 | 128.9° | 146.7° |
| H42 | C42 | C41 | C38 | 2.7° | 0.1° |
| C41 | C38 | C37 | H381 | 120.0° | 120.9° |
| C41 | C38 | C37 | H382 | 119.0° | 123.1° |
| C41 | C38 | H381 | H382 | 119.1° | 117.8° |
| C41 | C38 | C37 | N35 | 99.9° | 178.8° |
| C41 | C38 | C37 | H371 | 20.1° | 60.0° |
| C41 | C38 | C37 | H372 | 140.7° | 60.1° |
| C37 | C38 | H381 | H382 | 119.1° | 118.6° |
| C38 | C37 | N35 | H371 | 120.0° | 120.7° |
| C38 | C37 | N35 | H372 | 119.4° | 123.4° |
| C38 | C37 | H371 | H372 | 119.4° | 122.1° |
| C38 | C37 | N35 | C33 | 140.8° | 90.0° |
| C38 | C37 | N35 | HN35 | 39.2° | 90.0° |
| H381 | C38 | C37 | N35 | 140.1° | 57.9° |
| H381 | C38 | C37 | H371 | 99.9° | 60.9° |
| H381 | C38 | C37 | H372 | 20.7° | 179.0° |
| H382 | C38 | C37 | N35 | 19.2° | 58.0° |
| H382 | C38 | C37 | H371 | 139.2° | 176.9° |
| H382 | C38 | C37 | H372 | 100.2° | 63.1° |
| N35 | C37 | H371 | H372 | 119.4° | 115.5° |
| C37 | N35 | C33 | HN35 | 180.0° | 180.0° |
| C37 | N35 | C33 | C32 | 178.4° | 179.9° |
| C37 | N35 | C33 | O34 | 1.4° | 0.0° |
| H371 | C37 | N35 | C33 | 20.8° | 30.7° |
| H371 | C37 | N35 | HN35 | 159.2° | 149.3° |
| H372 | C37 | N35 | C33 | 99.8° | 146.6° |
| H372 | C37 | N35 | HN35 | 80.2° | 33.4° |
| N35 | C33 | C32 | O34 | 177.1° | 179.9° |
| N35 | C33 | C32 | C25 | 133.8° | 119.4° |
| N35 | C33 | C32 | H321 | 106.2° | 120.0° |
| N35 | C33 | C32 | H322 | 17.4° | 1.3° |
| HN35 | N35 | C33 | C32 | 1.5° | 0.1° |
| HN35 | N35 | C33 | O34 | 178.5° | 180.0° |
| C33 | C32 | C25 | H321 | 120.0° | 120.8° |
| C33 | C32 | C25 | H322 | 116.4° | 120.8° |
| C33 | C32 | H321 | H322 | 116.8° | 119.0° |
| C33 | C32 | C25 | C26 | 81.0° | 57.3° |
| C33 | C32 | C25 | N24 | 48.8° | 176.8° |
| C33 | C32 | C25 | H25 | 163.6° | 60.0° |
| O34 | C33 | C32 | C25 | 49.1° | 60.7° |
| O34 | C33 | C32 | H321 | 70.9° | 60.0° |
| O34 | C33 | C32 | H322 | 165.5° | 178.6° |
| C25 | C32 | H321 | H322 | 116.8° | 118.4° |
| C32 | C25 | C26 | N24 | 129.7° | 125.4° |
| C32 | C25 | C26 | H25 | 115.6° | 116.5° |
| C32 | C25 | N24 | H25 | 115.4° | 116.0° |
| C32 | C25 | C26 | N21 | 108.6° | 71.4° |
| C32 | C25 | C26 | H261 | 11.4° | 51.0° |
| C32 | C25 | C26 | H262 | 134.1° | 168.4° |
| C32 | C25 | N24 | C27 | 84.6° | 81.5° |
| C32 | C25 | N24 | C23 | 96.0° | 103.1° |
| H321 | C32 | C25 | C26 | 158.9° | 178.1° |
| H321 | C32 | C25 | N24 | 71.2° | 56.0° |
| H321 | C32 | C25 | H25 | 43.6° | 60.8° |
| H322 | C32 | C25 | C26 | 35.4° | 63.5° |
| H322 | C32 | C25 | N24 | 165.2° | 62.4° |
| H322 | C32 | C25 | H25 | 80.0° | 179.2° |
| C26 | C25 | N24 | H25 | 115.2° | 118.1° |
| C25 | C26 | N21 | H261 | 120.0° | 121.8° |
| C25 | C26 | N21 | H262 | 117.4° | 120.9° |
| C25 | C26 | H261 | H262 | 117.6° | 119.0° |
| C26 | C25 | N24 | C27 | 146.0° | 152.6° |
| C26 | C25 | N24 | C23 | 33.4° | 22.8° |
| C25 | C26 | N21 | C22 | 33.0° | 30.3° |
| C25 | C26 | N21 | C13 | 151.1° | 151.9° |
| N24 | C25 | C26 | N21 | 21.1° | 54.0° |
| N24 | C25 | C26 | H261 | 141.1° | 176.4° |
| N24 | C25 | C26 | H262 | 96.2° | 66.2° |
| C25 | N24 | C27 | C23 | 179.4° | 175.1° |
| C25 | N24 | C27 | O28 | 0.0° | 4.9° |
| C25 | N24 | C27 | C29 | 179.8° | 175.2° |
| C25 | N24 | C23 | C22 | 51.9° | 30.2° |
| C25 | N24 | C23 | H231 | 171.9° | 153.0° |
| C25 | N24 | C23 | H232 | 68.3° | 91.0° |
| H25 | C25 | C26 | N21 | 135.9° | 172.1° |
| H25 | C25 | C26 | H261 | 104.1° | 65.5° |
| H25 | C25 | C26 | H262 | 18.5° | 51.9° |
| H25 | C25 | N24 | C27 | 30.9° | 34.5° |
| H25 | C25 | N24 | C23 | 148.5° | 140.9° |
| N21 | C26 | H261 | H262 | 117.6° | 118.0° |
| C26 | N21 | C22 | C23 | 51.2° | 21.8° |
| C26 | N21 | C22 | C13 | 175.9° | 177.8° |
| C26 | N21 | C22 | H221 | 171.2° | 142.8° |
| C26 | N21 | C22 | H222 | 68.9° | 99.5° |
| C26 | N21 | C13 | C14 | 0.2° | 152.3° |
| C26 | N21 | C13 | N12 | 174.9° | 27.7° |
| H261 | C26 | N21 | C22 | 153.1° | 152.1° |
| H261 | C26 | N21 | C13 | 31.0° | 30.1° |
| H262 | C26 | N21 | C22 | 84.3° | 90.6° |
| H262 | C26 | N21 | C13 | 91.6° | 87.1° |
| N24 | C27 | O28 | C29 | 179.8° | 179.9° |
| N24 | C27 | C29 | C30 | 126.6° | 88.2° |
| N24 | C27 | C29 | C31 | 111.7° | 148.6° |
| N24 | C27 | C29 | H29 | 7.5° | 30.1° |
| C27 | N24 | C23 | C22 | 127.5° | 154.7° |
| C27 | N24 | C23 | H231 | 7.5° | 31.8° |
| C27 | N24 | C23 | H232 | 112.3° | 84.1° |
| C23 | N24 | C27 | O28 | 179.4° | 180.0° |
| C23 | N24 | C27 | C29 | 0.8° | 0.1° |
| N24 | C23 | C22 | H231 | 120.0° | 122.9° |
| N24 | C23 | C22 | H232 | 120.2° | 119.1° |
| N24 | C23 | H231 | H232 | 120.2° | 115.4° |
| N24 | C23 | C22 | N21 | 56.4° | 53.8° |
| N24 | C23 | C22 | H221 | 176.3° | 175.6° |
| N24 | C23 | C22 | H222 | 63.8° | 66.8° |
| O28 | C27 | C29 | C30 | 53.6° | 91.7° |
| O28 | C27 | C29 | C31 | 68.1° | 31.5° |
| O28 | C27 | C29 | H29 | 172.7° | 150.0° |
| C27 | C29 | C30 | C31 | 120.9° | 122.4° |
| C27 | C29 | C30 | H29 | 119.9° | 117.6° |
| C27 | C29 | C31 | H29 | 119.9° | 117.5° |
| C27 | C29 | C31 | H311 | 42.2° | 62.0° |
| C27 | C29 | C31 | H312 | 77.8° | 58.6° |
| C27 | C29 | C31 | H313 | 162.2° | 178.0° |
| C27 | C29 | C30 | H301 | 14.0° | 57.9° |
| C27 | C29 | C30 | H302 | 133.9° | 62.7° |
| C27 | C29 | C30 | H303 | 106.0° | 177.3° |
| C30 | C29 | C31 | H29 | 119.1° | 119.8° |
| C30 | C29 | C31 | H311 | 78.7° | 60.7° |
| C30 | C29 | C31 | H312 | 161.3° | 178.7° |
| C30 | C29 | C31 | H313 | 41.2° | 59.3° |
| C29 | C30 | H301 | H302 | 120.0° | 122.8° |
| C29 | C30 | H301 | H303 | 120.0° | 120.9° |
| C29 | C30 | H302 | H303 | 120.0° | 121.4° |
| C29 | C31 | H311 | H312 | 120.0° | 122.5° |
| C29 | C31 | H311 | H313 | 120.0° | 121.4° |
| C29 | C31 | H312 | H313 | 120.0° | 121.0° |
| C31 | C29 | C30 | H301 | 107.0° | 179.7° |
| C31 | C29 | C30 | H302 | 13.0° | 59.7° |
| C31 | C29 | C30 | H303 | 133.1° | 60.3° |
| H29 | C29 | C31 | H311 | 162.1° | 179.5° |
| H29 | C29 | C31 | H312 | 42.1° | 59.0° |
| H29 | C29 | C31 | H313 | 77.9° | 60.5° |
| H29 | C29 | C30 | H301 | 133.9° | 59.7° |
| H29 | C29 | C30 | H302 | 106.1° | 179.7° |
| H29 | C29 | C30 | H303 | 13.9° | 59.7° |
| H311 | C31 | H312 | H313 | 120.0° | 116.2° |
| H301 | C30 | H302 | H303 | 119.9° | 116.1° |
| C22 | C23 | H231 | H232 | 120.2° | 119.8° |
| C23 | C22 | N21 | H221 | 120.0° | 121.0° |
| C23 | C22 | N21 | H222 | 120.1° | 121.3° |
| C23 | C22 | H221 | H222 | 120.1° | 119.2° |
| C23 | C22 | N21 | C13 | 132.9° | 156.0° |
| H231 | C23 | C22 | N21 | 176.4° | 176.7° |
| H231 | C23 | C22 | H221 | 63.7° | 61.5° |
| H231 | C23 | C22 | H222 | 56.3° | 56.1° |
| H232 | C23 | C22 | N21 | 63.8° | 65.3° |
| H232 | C23 | C22 | H221 | 56.1° | 56.5° |
| H232 | C23 | C22 | H222 | 176.1° | 174.1° |
| N21 | C22 | H221 | H222 | 120.1° | 118.5° |
| C22 | N21 | C13 | C14 | 176.1° | 30.0° |
| C22 | N21 | C13 | N12 | 1.0° | 150.0° |
| H221 | C22 | N21 | C13 | 12.9° | 35.0° |
| H222 | C22 | N21 | C13 | 107.0° | 82.7° |
| N21 | C13 | C14 | N12 | 175.1° | 180.0° |
| N21 | C13 | N12 | C11 | 174.3° | 179.9° |
| N21 | C13 | C14 | C15 | 174.5° | 180.0° |
| N21 | C13 | C14 | H14 | 5.5° | 0.0° |
| C14 | C13 | N12 | C11 | 0.9° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C17 | 178.7° | 180.0° |
| C13 | C14 | C15 | N16 | 0.1° | 0.1° |
| N12 | C13 | C14 | C15 | 0.5° | 0.0° |
| N12 | C13 | C14 | H14 | 179.4° | 180.0° |
| C13 | N12 | C11 | N16 | 0.5° | 0.0° |
| C13 | N12 | C11 | N3 | 179.2° | 180.0° |
| N12 | C11 | N16 | C15 | 0.2° | 0.1° |
| N12 | C11 | N16 | N3 | 178.6° | 180.0° |
| N12 | C11 | N3 | C4 | 176.2° | 0.0° |
| N12 | C11 | N3 | C2 | 1.0° | 179.9° |
| C14 | C15 | C17 | N16 | 178.8° | 179.9° |
| C14 | C15 | C17 | H171 | 179.8° | 160.9° |
| C14 | C15 | C17 | H172 | 60.2° | 40.4° |
| C14 | C15 | C17 | H173 | 59.8° | 78.6° |
| C14 | C15 | N16 | C11 | 0.5° | 0.1° |
| H14 | C14 | C15 | C17 | 1.3° | 0.0° |
| H14 | C14 | C15 | N16 | 179.9° | 179.9° |
| C15 | C17 | H171 | H172 | 120.0° | 122.1° |
| C15 | C17 | H171 | H173 | 120.0° | 122.2° |
| C15 | C17 | H172 | H173 | 120.0° | 121.7° |
| C17 | C15 | N16 | C11 | 178.3° | 180.0° |
| N16 | C15 | C17 | H171 | 1.4° | 19.2° |
| N16 | C15 | C17 | H172 | 118.6° | 139.6° |
| N16 | C15 | C17 | H173 | 121.3° | 101.3° |
| C15 | N16 | C11 | N3 | 178.4° | 179.9° |
| H171 | C17 | H172 | H173 | 120.0° | 116.8° |
| N16 | C11 | N3 | C4 | 5.1° | 180.0° |
| N16 | C11 | N3 | C2 | 177.7° | 0.1° |
| C11 | N3 | C4 | C2 | 177.6° | 179.9° |
| C11 | N3 | C4 | C5 | 177.5° | 180.0° |
| C11 | N3 | C4 | H4 | 2.5° | 0.0° |
| C11 | N3 | C2 | NFE | 177.8° | 180.0° |
| C11 | N3 | C2 | H2 | 2.2° | 0.1° |
| N3 | C4 | C5 | H4 | 180.0° | 180.0° |
| N3 | C4 | C5 | NFE | 0.2° | 0.0° |
| N3 | C4 | C5 | H5 | 179.8° | 179.9° |
| C4 | N3 | C2 | NFE | 0.1° | 0.1° |
| C4 | N3 | C2 | H2 | 179.8° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.1° |
| C2 | N3 | C4 | H4 | 179.9° | 180.0° |
| N3 | C2 | NFE | C5 | 0.3° | 0.1° |
| N3 | C2 | NFE | H2 | 180.0° | 179.9° |
| C4 | C5 | NFE | H5 | 180.0° | 180.0° |
| C4 | C5 | NFE | C2 | 0.3° | 0.0° |
| H4 | C4 | C5 | NFE | 179.8° | 180.0° |
| H4 | C4 | C5 | H5 | 0.2° | 0.0° |
| C5 | NFE | C2 | H2 | 179.7° | 180.0° |
| H5 | C5 | NFE | C2 | 179.7° | 180.0° |
