TC9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.46Å | 1.42Å | |
| N1 | C6 | sing | 1.47Å | 1.52Å | |
| N1 | C43 | sing | 1.47Å | 1.45Å | |
| C2 | C3 | sing | 1.52Å | 1.49Å | |
| C3 | C4 | sing | 1.50Å | 1.49Å | |
| C4 | C5 | sing | 1.38Å | 1.43Å | Aromatic |
| C4 | C7 | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.50Å | 1.51Å | |
| C5 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C6 | C36 | sing | 1.54Å | 1.55Å | |
| C7 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | O37 | sing | 1.36Å | 1.40Å | |
| C9 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C9 | O11 | sing | 1.33Å | 1.42Å | |
| O11 | C12 | sing | 1.32Å | 1.42Å | |
| C12 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C12 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | O39 | sing | 1.36Å | 1.38Å | |
| C14 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C18 | sing | 1.50Å | 1.56Å | |
| C18 | C19 | sing | 1.52Å | 1.56Å | |
| C19 | N20 | sing | 1.44Å | 1.44Å | |
| C19 | C24 | sing | 1.52Å | 1.56Å | |
| N20 | C21 | sing | 1.47Å | 1.44Å | |
| N20 | C44 | sing | 1.47Å | 1.48Å | |
| N20 | C45 | sing | 1.48Å | 1.48Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.51Å | 1.49Å | |
| C23 | C24 | sing | 1.37Å | 1.42Å | Aromatic |
| C23 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C28 | doub | 1.41Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.43Å | Aromatic |
| C26 | O40 | sing | 1.36Å | 1.38Å | |
| C27 | C28 | sing | 1.38Å | 1.42Å | Aromatic |
| C27 | O42 | sing | 1.36Å | 1.38Å | |
| C28 | O29 | sing | 1.31Å | 1.41Å | |
| O29 | C30 | sing | 1.31Å | 1.39Å | |
| C30 | C31 | sing | 1.39Å | 1.41Å | Aromatic |
| C30 | C35 | doub | 1.40Å | 1.40Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.37Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.43Å | Aromatic |
| C33 | C36 | sing | 1.51Å | 1.50Å | |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| O37 | C38 | sing | 1.43Å | 1.41Å | |
| O40 | C41 | sing | 1.43Å | 1.37Å | |
| N1 | H1 | sing | 1.02Å | 1.00Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.10Å | 1.10Å | |
| C6 | H6 | sing | 1.10Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H433 | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| O39 | H39 | sing | 0.97Å | 0.95Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.10Å | |
| C18 | H182 | sing | 1.11Å | 1.10Å | |
| C19 | H19 | sing | 1.11Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H443 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H453 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C22 | H222 | sing | 1.08Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| O42 | H42 | sing | 0.97Å | 0.95Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 113.5° | 110.2° |
| C2 | N1 | C43 | 102.7° | 111.1° |
| N1 | C2 | C3 | 111.9° | 112.1° |
| C2 | N1 | H1 | 124.0° | 108.7° |
| N1 | C2 | H21C | 108.7° | 109.8° |
| N1 | C2 | H22C | 108.1° | 108.9° |
| C6 | N1 | C43 | 130.4° | 110.4° |
| N1 | C6 | C5 | 110.2° | 111.4° |
| N1 | C6 | C36 | 107.2° | 108.7° |
| C6 | N1 | H1 | 86.0° | 108.2° |
| N1 | C6 | H6 | 113.9° | 108.3° |
| C43 | N1 | H1 | 101.1° | 108.2° |
| N1 | C43 | H431 | 109.5° | 109.4° |
| N1 | C43 | H432 | 109.5° | 109.5° |
| N1 | C43 | H433 | 109.4° | 109.5° |
| C2 | C3 | C4 | 113.5° | 112.9° |
| C3 | C2 | H21C | 108.6° | 109.4° |
| C3 | C2 | H22C | 108.1° | 108.8° |
| C2 | C3 | H31C | 108.2° | 108.6° |
| C2 | C3 | H32C | 107.3° | 109.3° |
| C3 | C4 | C5 | 121.5° | 121.9° |
| C3 | C4 | C7 | 118.8° | 119.4° |
| C4 | C3 | H31C | 108.2° | 108.9° |
| C4 | C3 | H32C | 107.2° | 109.1° |
| C5 | C4 | C7 | 119.7° | 118.7° |
| C4 | C5 | C6 | 120.6° | 120.3° |
| C4 | C5 | C10 | 120.2° | 121.0° |
| C4 | C7 | C8 | 119.9° | 120.7° |
| C4 | C7 | H7 | 120.1° | 119.6° |
| C6 | C5 | C10 | 119.1° | 118.7° |
| C5 | C6 | C36 | 117.9° | 111.1° |
| C5 | C6 | H6 | 102.2° | 109.1° |
| C5 | C10 | C9 | 119.8° | 120.7° |
| C5 | C10 | H10 | 120.1° | 119.9° |
| C6 | C36 | C33 | 109.9° | 107.7° |
| C36 | C6 | H6 | 105.5° | 108.1° |
| C6 | C36 | H361 | 109.3° | 109.9° |
| C6 | C36 | H362 | 109.2° | 109.8° |
| C7 | C8 | C9 | 120.4° | 120.5° |
| C7 | C8 | O37 | 119.2° | 119.8° |
| C8 | C7 | H7 | 120.0° | 119.7° |
| C9 | C8 | O37 | 120.4° | 119.7° |
| C8 | C9 | C10 | 120.0° | 118.2° |
| C8 | C9 | O11 | 119.0° | 119.0° |
| C8 | O37 | C38 | 118.8° | 117.0° |
| C10 | C9 | O11 | 121.0° | 122.7° |
| C9 | C10 | H10 | 120.2° | 119.4° |
| C9 | O11 | C12 | 112.5° | 144.8° |
| O11 | C12 | C13 | 119.4° | 118.3° |
| O11 | C12 | C17 | 120.5° | 123.3° |
| C13 | C12 | C17 | 120.0° | 118.4° |
| C12 | C13 | C14 | 120.0° | 120.3° |
| C12 | C13 | O39 | 120.1° | 119.5° |
| C12 | C17 | C16 | 119.8° | 121.0° |
| C12 | C17 | H17 | 120.1° | 119.6° |
| C14 | C13 | O39 | 119.9° | 120.2° |
| C13 | C14 | C15 | 119.8° | 120.2° |
| C13 | C14 | H14 | 120.1° | 120.4° |
| C13 | O39 | H39 | 109.5° | 114.0° |
| C14 | C15 | C16 | 120.6° | 120.3° |
| C15 | C14 | H14 | 120.1° | 119.4° |
| C14 | C15 | H15 | 119.7° | 118.1° |
| C15 | C16 | C17 | 119.7° | 119.6° |
| C15 | C16 | C18 | 118.6° | 121.2° |
| C16 | C15 | H15 | 119.7° | 121.6° |
| C17 | C16 | C18 | 121.7° | 119.1° |
| C16 | C17 | H17 | 120.1° | 119.4° |
| C16 | C18 | C19 | 114.4° | 115.4° |
| C16 | C18 | H181 | 107.8° | 110.3° |
| C16 | C18 | H182 | 106.7° | 105.8° |
| C18 | C19 | N20 | 114.8° | 115.7° |
| C18 | C19 | C24 | 105.6° | 106.2° |
| C19 | C18 | H181 | 107.9° | 113.7° |
| C19 | C18 | H182 | 106.7° | 107.0° |
| C18 | C19 | H19 | 109.1° | 106.8° |
| N20 | C19 | C24 | 111.0° | 112.4° |
| C19 | N20 | C21 | 115.1° | 114.6° |
| C19 | N20 | C44 | 108.9° | 113.3° |
| C19 | N20 | C45 | 108.2° | 107.7° |
| N20 | C19 | H19 | 103.5° | 108.4° |
| C19 | C24 | C23 | 119.1° | 124.4° |
| C19 | C24 | C28 | 120.3° | 117.1° |
| C24 | C19 | H19 | 113.0° | 106.9° |
| C21 | N20 | C44 | 109.0° | 107.5° |
| C21 | N20 | C45 | 109.1° | 105.6° |
| N20 | C21 | C22 | 117.9° | 109.7° |
| N20 | C21 | H211 | 106.7° | 109.3° |
| N20 | C21 | H212 | 104.8° | 109.1° |
| C44 | N20 | C45 | 106.2° | 107.6° |
| N20 | C44 | H441 | 109.5° | 109.5° |
| N20 | C44 | H442 | 109.4° | 109.4° |
| N20 | C44 | H443 | 109.4° | 109.5° |
| N20 | C45 | H451 | 109.5° | 109.5° |
| N20 | C45 | H452 | 109.5° | 109.5° |
| N20 | C45 | H453 | 109.5° | 109.5° |
| C21 | C22 | C23 | 116.5° | 105.5° |
| C22 | C21 | H211 | 106.7° | 109.9° |
| C22 | C21 | H212 | 104.8° | 109.7° |
| C21 | C22 | H221 | 107.2° | 109.1° |
| C21 | C22 | H222 | 105.6° | 112.9° |
| C22 | C23 | C24 | 119.9° | 118.8° |
| C22 | C23 | C25 | 120.3° | 119.5° |
| C23 | C22 | H221 | 107.2° | 109.0° |
| C23 | C22 | H222 | 105.6° | 111.1° |
| C24 | C23 | C25 | 119.8° | 121.7° |
| C23 | C24 | C28 | 120.6° | 118.4° |
| C23 | C25 | C26 | 120.1° | 119.9° |
| C23 | C25 | H25 | 120.0° | 120.1° |
| C24 | C28 | C27 | 119.9° | 119.7° |
| C24 | C28 | O29 | 118.1° | 114.4° |
| C25 | C26 | C27 | 120.0° | 119.0° |
| C25 | C26 | O40 | 119.9° | 120.6° |
| C26 | C25 | H25 | 120.0° | 120.0° |
| C27 | C26 | O40 | 120.0° | 120.4° |
| C26 | C27 | C28 | 119.6° | 121.1° |
| C26 | C27 | O42 | 120.1° | 119.3° |
| C26 | O40 | C41 | 119.6° | 117.0° |
| C28 | C27 | O42 | 120.3° | 119.6° |
| C27 | C28 | O29 | 121.7° | 125.9° |
| C27 | O42 | H42 | 109.5° | 114.0° |
| C28 | O29 | C30 | 115.2° | 143.5° |
| O29 | C30 | C31 | 116.8° | 120.9° |
| O29 | C30 | C35 | 122.6° | 120.0° |
| C31 | C30 | C35 | 120.6° | 119.1° |
| C30 | C31 | C32 | 119.9° | 120.2° |
| C30 | C31 | H31 | 120.1° | 120.0° |
| C30 | C35 | C34 | 119.2° | 120.5° |
| C30 | C35 | H35 | 120.4° | 120.0° |
| C31 | C32 | C33 | 119.8° | 119.9° |
| C32 | C31 | H31 | 120.0° | 119.9° |
| C31 | C32 | H32 | 120.1° | 119.8° |
| C32 | C33 | C34 | 120.9° | 120.8° |
| C32 | C33 | C36 | 117.8° | 118.5° |
| C33 | C32 | H32 | 120.1° | 120.4° |
| C34 | C33 | C36 | 121.4° | 120.7° |
| C33 | C34 | C35 | 119.6° | 119.6° |
| C33 | C34 | H34 | 120.1° | 120.3° |
| C33 | C36 | H361 | 109.3° | 110.0° |
| C33 | C36 | H362 | 109.2° | 109.5° |
| C34 | C35 | H35 | 120.4° | 119.6° |
| C35 | C34 | H34 | 120.2° | 120.1° |
| O37 | C38 | H381 | 109.5° | 109.5° |
| O37 | C38 | H382 | 109.5° | 109.5° |
| O37 | C38 | H383 | 109.5° | 109.5° |
| O40 | C41 | H411 | 109.5° | 109.5° |
| O40 | C41 | H412 | 109.4° | 109.5° |
| O40 | C41 | H413 | 109.5° | 109.5° |
| H21C | C2 | H22C | 111.4° | 107.7° |
| H431 | C43 | H432 | 109.5° | 109.5° |
| H431 | C43 | H433 | 109.5° | 109.4° |
| H432 | C43 | H433 | 109.5° | 109.5° |
| H31C | C3 | H32C | 112.7° | 107.9° |
| H361 | C36 | H362 | 109.8° | 109.9° |
| H181 | C18 | H182 | 113.4° | 103.6° |
| H211 | C21 | H212 | 116.4° | 109.0° |
| H441 | C44 | H442 | 109.5° | 109.5° |
| H441 | C44 | H443 | 109.5° | 109.5° |
| H442 | C44 | H443 | 109.5° | 109.5° |
| H451 | C45 | H452 | 109.5° | 109.5° |
| H451 | C45 | H453 | 109.4° | 109.5° |
| H452 | C45 | H453 | 109.5° | 109.4° |
| H221 | C22 | H222 | 115.2° | 109.1° |
| H381 | C38 | H382 | 109.4° | 109.4° |
| H381 | C38 | H383 | 109.5° | 109.5° |
| H382 | C38 | H383 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.4° |
| H411 | C41 | H413 | 109.4° | 109.4° |
| H412 | C41 | H413 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C43 | 133.3° | 123.1° |
| C2 | N1 | C6 | H1 | 125.5° | 118.7° |
| C2 | N1 | C43 | H1 | 128.9° | 119.3° |
| N1 | C2 | C3 | H21C | 120.0° | 122.0° |
| N1 | C2 | C3 | H22C | 118.9° | 120.5° |
| N1 | C2 | C3 | C4 | 42.5° | 37.6° |
| C2 | N1 | C6 | C5 | 49.1° | 56.3° |
| C2 | N1 | C6 | C36 | 80.4° | 66.4° |
| N1 | C2 | H21C | H22C | 119.0° | 118.4° |
| C2 | N1 | C6 | H6 | 163.3° | 176.4° |
| C2 | N1 | C43 | H431 | 66.0° | 60.0° |
| C2 | N1 | C43 | H432 | 54.0° | 180.0° |
| C2 | N1 | C43 | H433 | 174.0° | 59.9° |
| N1 | C2 | C3 | H31C | 162.5° | 158.5° |
| N1 | C2 | C3 | H32C | 75.7° | 84.1° |
| C6 | N1 | C43 | H1 | 94.2° | 118.2° |
| C6 | N1 | C2 | C3 | 64.2° | 63.6° |
| N1 | C6 | C5 | C4 | 15.7° | 25.7° |
| N1 | C6 | C5 | C36 | 123.5° | 121.4° |
| N1 | C6 | C5 | H6 | 121.4° | 119.6° |
| N1 | C6 | C5 | C10 | 161.8° | 153.5° |
| N1 | C6 | C36 | H6 | 121.7° | 117.4° |
| N1 | C6 | C36 | C33 | 173.9° | 173.0° |
| C6 | N1 | C2 | H21C | 55.8° | 58.2° |
| C6 | N1 | C2 | H22C | 176.8° | 175.9° |
| C6 | N1 | C43 | H431 | 70.8° | 177.5° |
| C6 | N1 | C43 | H432 | 169.2° | 57.5° |
| C6 | N1 | C43 | H433 | 49.2° | 62.6° |
| N1 | C6 | C36 | H361 | 66.1° | 53.3° |
| N1 | C6 | C36 | H362 | 54.1° | 67.7° |
| C43 | N1 | C2 | C3 | 81.2° | 59.0° |
| C43 | N1 | C6 | C5 | 84.3° | 66.8° |
| C43 | N1 | C6 | C36 | 146.3° | 170.5° |
| C43 | N1 | C2 | H21C | 158.8° | 179.2° |
| C43 | N1 | C2 | H22C | 37.7° | 61.4° |
| C43 | N1 | C6 | H6 | 30.0° | 53.3° |
| N1 | C43 | H431 | H432 | 120.0° | 120.0° |
| N1 | C43 | H431 | H433 | 119.9° | 120.0° |
| N1 | C43 | H432 | H433 | 120.0° | 120.1° |
| C2 | C3 | C4 | H31C | 120.0° | 120.7° |
| C2 | C3 | C4 | H32C | 118.3° | 121.8° |
| C2 | C3 | C4 | C5 | 10.2° | 7.0° |
| C2 | C3 | C4 | C7 | 169.0° | 172.9° |
| C3 | C2 | N1 | H1 | 165.9° | 178.0° |
| C3 | C2 | H21C | H22C | 119.0° | 118.2° |
| C2 | C3 | H31C | H32C | 118.4° | 118.4° |
| C3 | C4 | C5 | C7 | 179.2° | 179.8° |
| C3 | C4 | C5 | C6 | 2.3° | 1.3° |
| C3 | C4 | C5 | C10 | 179.7° | 177.9° |
| C3 | C4 | C7 | C8 | 179.7° | 178.5° |
| C4 | C3 | C2 | H21C | 77.4° | 84.4° |
| C4 | C3 | C2 | H22C | 161.5° | 158.1° |
| C4 | C3 | H31C | H32C | 118.3° | 118.3° |
| C3 | C4 | C7 | H7 | 0.3° | 1.2° |
| C4 | C5 | C6 | C10 | 177.4° | 179.2° |
| C4 | C5 | C6 | C36 | 107.8° | 95.7° |
| C5 | C4 | C7 | C8 | 0.5° | 1.7° |
| C4 | C5 | C10 | C9 | 1.1° | 0.4° |
| C4 | C5 | C6 | H6 | 137.1° | 145.3° |
| C5 | C4 | C3 | H31C | 130.1° | 127.7° |
| C5 | C4 | C3 | H32C | 108.1° | 114.8° |
| C5 | C4 | C7 | H7 | 179.5° | 178.6° |
| C4 | C5 | C10 | H10 | 178.9° | 179.5° |
| C7 | C4 | C5 | C6 | 178.5° | 178.6° |
| C7 | C4 | C5 | C10 | 1.1° | 2.3° |
| C4 | C7 | C8 | H7 | 180.0° | 179.7° |
| C4 | C7 | C8 | C9 | 0.1° | 0.8° |
| C4 | C7 | C8 | O37 | 179.6° | 179.3° |
| C7 | C4 | C3 | H31C | 49.1° | 52.2° |
| C7 | C4 | C3 | H32C | 72.7° | 65.3° |
| C5 | C6 | C36 | H6 | 113.3° | 119.7° |
| C6 | C5 | C10 | C9 | 178.5° | 179.5° |
| C5 | C6 | C36 | C33 | 48.9° | 64.0° |
| C5 | C6 | N1 | H1 | 174.6° | 175.0° |
| C6 | C5 | C10 | H10 | 1.5° | 0.3° |
| C5 | C6 | C36 | H361 | 168.9° | 176.2° |
| C5 | C6 | C36 | H362 | 70.9° | 55.2° |
| C10 | C5 | C6 | C36 | 74.8° | 85.1° |
| C5 | C10 | C9 | C8 | 0.5° | 2.1° |
| C5 | C10 | C9 | H10 | 180.0° | 179.8° |
| C5 | C10 | C9 | O11 | 178.3° | 174.4° |
| C10 | C5 | C6 | H6 | 40.3° | 33.9° |
| C6 | C36 | C33 | C32 | 86.8° | 50.9° |
| C6 | C36 | C33 | C34 | 92.6° | 127.7° |
| C6 | C36 | C33 | H361 | 120.0° | 119.7° |
| C6 | C36 | C33 | H362 | 119.8° | 119.4° |
| C36 | C6 | N1 | H1 | 45.1° | 52.3° |
| C6 | C36 | H361 | H362 | 119.8° | 121.0° |
| C7 | C8 | C9 | O37 | 179.5° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 2.7° |
| C7 | C8 | C9 | O11 | 178.9° | 174.0° |
| C7 | C8 | O37 | C38 | 58.3° | 0.1° |
| C8 | C9 | C10 | O11 | 178.8° | 176.5° |
| C8 | C9 | O11 | C12 | 151.8° | 105.2° |
| C9 | C8 | O37 | C38 | 121.2° | 180.0° |
| C9 | C8 | C7 | H7 | 179.9° | 178.9° |
| C8 | C9 | C10 | H10 | 179.5° | 178.1° |
| O37 | C8 | C9 | C10 | 179.6° | 177.4° |
| O37 | C8 | C9 | O11 | 1.6° | 5.9° |
| O37 | C8 | C7 | H7 | 0.4° | 1.0° |
| C8 | O37 | C38 | H381 | 177.7° | 59.9° |
| C8 | O37 | C38 | H382 | 57.7° | 60.0° |
| C8 | O37 | C38 | H383 | 62.3° | 180.0° |
| C10 | C9 | O11 | C12 | 29.4° | 78.3° |
| C9 | O11 | C12 | C13 | 83.3° | 119.2° |
| C9 | O11 | C12 | C17 | 98.4° | 61.2° |
| O11 | C9 | C10 | H10 | 1.7° | 5.4° |
| O11 | C12 | C13 | C17 | 178.2° | 179.6° |
| O11 | C12 | C13 | C14 | 178.7° | 176.5° |
| O11 | C12 | C13 | O39 | 1.7° | 3.3° |
| O11 | C12 | C17 | C16 | 178.4° | 175.3° |
| O11 | C12 | C17 | H17 | 1.6° | 5.2° |
| C12 | C13 | C14 | O39 | 179.6° | 179.8° |
| C12 | C13 | C14 | C15 | 0.3° | 0.1° |
| C13 | C12 | C17 | C16 | 0.2° | 4.4° |
| C13 | C12 | C17 | H17 | 179.8° | 175.2° |
| C12 | C13 | C14 | H14 | 179.7° | 179.8° |
| C12 | C13 | O39 | H39 | 60.8° | 89.9° |
| C17 | C12 | C13 | C14 | 0.5° | 3.2° |
| C17 | C12 | C13 | O39 | 179.9° | 177.1° |
| C12 | C17 | C16 | C15 | 0.3° | 2.3° |
| C12 | C17 | C16 | H17 | 180.0° | 179.6° |
| C12 | C17 | C16 | C18 | 179.3° | 175.1° |
| C13 | C14 | C15 | H14 | 180.0° | 179.7° |
| C13 | C14 | C15 | C16 | 0.2° | 2.2° |
| C14 | C13 | O39 | H39 | 119.7° | 89.8° |
| C13 | C14 | C15 | H15 | 179.8° | 176.1° |
| O39 | C13 | C14 | C15 | 179.9° | 179.7° |
| O39 | C13 | C14 | H14 | 0.1° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 178.2° |
| C14 | C15 | C16 | C17 | 0.5° | 1.0° |
| C14 | C15 | C16 | C18 | 179.5° | 178.3° |
| C15 | C16 | C17 | C18 | 179.0° | 177.4° |
| C15 | C16 | C18 | C19 | 131.5° | 73.1° |
| C15 | C16 | C17 | H17 | 179.7° | 177.2° |
| C16 | C15 | C14 | H14 | 179.9° | 178.1° |
| C15 | C16 | C18 | H181 | 11.5° | 57.4° |
| C15 | C16 | C18 | H182 | 110.7° | 168.9° |
| C17 | C16 | C18 | C19 | 49.5° | 109.6° |
| C17 | C16 | C15 | H15 | 179.5° | 177.2° |
| C17 | C16 | C18 | H181 | 169.5° | 119.9° |
| C17 | C16 | C18 | H182 | 68.3° | 8.4° |
| C16 | C18 | C19 | H181 | 120.0° | 128.9° |
| C16 | C18 | C19 | H182 | 117.8° | 117.3° |
| C16 | C18 | C19 | N20 | 94.9° | 83.2° |
| C16 | C18 | C19 | C24 | 142.4° | 151.4° |
| C18 | C16 | C17 | H17 | 0.7° | 5.4° |
| C18 | C16 | C15 | H15 | 0.5° | 0.1° |
| C16 | C18 | H181 | H182 | 118.0° | 112.8° |
| C16 | C18 | C19 | H19 | 20.7° | 37.6° |
| C18 | C19 | N20 | C24 | 119.7° | 122.2° |
| C18 | C19 | N20 | H19 | 118.8° | 119.9° |
| C18 | C19 | C24 | H19 | 119.2° | 113.8° |
| C18 | C19 | N20 | C21 | 66.7° | 146.6° |
| C18 | C19 | N20 | C44 | 56.0° | 22.7° |
| C18 | C19 | N20 | C45 | 171.0° | 96.2° |
| C18 | C19 | C24 | C23 | 91.3° | 118.5° |
| C18 | C19 | C24 | C28 | 85.7° | 63.5° |
| C19 | C18 | H181 | H182 | 118.0° | 115.7° |
| N20 | C19 | C24 | H19 | 115.7° | 118.8° |
| C19 | N20 | C21 | C44 | 122.6° | 127.0° |
| C19 | N20 | C21 | C45 | 121.8° | 118.4° |
| C19 | N20 | C44 | C45 | 116.3° | 119.0° |
| C19 | N20 | C21 | C22 | 42.8° | 62.4° |
| N20 | C19 | C24 | C23 | 33.8° | 8.9° |
| N20 | C19 | C24 | C28 | 149.2° | 169.1° |
| N20 | C19 | C18 | H181 | 25.1° | 45.7° |
| N20 | C19 | C18 | H182 | 147.3° | 159.5° |
| C19 | N20 | C21 | H211 | 162.8° | 58.2° |
| C19 | N20 | C21 | H212 | 73.3° | 177.4° |
| C19 | N20 | C44 | H441 | 122.3° | 65.7° |
| C19 | N20 | C44 | H442 | 2.3° | 174.3° |
| C19 | N20 | C44 | H443 | 117.7° | 54.3° |
| C19 | N20 | C45 | H451 | 14.7° | 60.0° |
| C19 | N20 | C45 | H452 | 134.7° | 180.0° |
| C19 | N20 | C45 | H453 | 105.3° | 60.0° |
| C24 | C19 | N20 | C21 | 53.0° | 24.4° |
| C24 | C19 | N20 | C44 | 175.7° | 99.5° |
| C24 | C19 | N20 | C45 | 69.3° | 141.6° |
| C19 | C24 | C23 | C22 | 3.1° | 3.6° |
| C19 | C24 | C23 | C28 | 176.9° | 177.9° |
| C19 | C24 | C23 | C25 | 177.7° | 176.2° |
| C19 | C24 | C28 | C27 | 178.3° | 176.8° |
| C19 | C24 | C28 | O29 | 6.7° | 5.0° |
| C24 | C19 | C18 | H181 | 97.6° | 79.7° |
| C24 | C19 | C18 | H182 | 24.6° | 34.0° |
| C21 | N20 | C44 | C45 | 117.4° | 113.3° |
| N20 | C21 | C22 | H211 | 120.0° | 120.2° |
| N20 | C21 | C22 | H212 | 116.0° | 119.9° |
| N20 | C21 | C22 | C23 | 9.9° | 63.2° |
| C21 | N20 | C19 | H19 | 174.5° | 93.5° |
| N20 | C21 | H211 | H212 | 116.5° | 119.2° |
| C21 | N20 | C44 | H441 | 111.5° | 62.0° |
| C21 | N20 | C44 | H442 | 128.5° | 58.0° |
| C21 | N20 | C44 | H443 | 8.5° | 178.0° |
| C21 | N20 | C45 | H451 | 140.6° | 177.1° |
| C21 | N20 | C45 | H452 | 99.4° | 57.1° |
| C21 | N20 | C45 | H453 | 20.6° | 62.9° |
| N20 | C21 | C22 | H221 | 110.1° | 179.8° |
| N20 | C21 | C22 | H222 | 126.7° | 58.3° |
| C44 | N20 | C21 | C22 | 165.3° | 64.5° |
| C44 | N20 | C19 | H19 | 62.8° | 142.6° |
| C44 | N20 | C21 | H211 | 74.7° | 174.8° |
| C44 | N20 | C21 | H212 | 49.3° | 55.7° |
| N20 | C44 | H441 | H442 | 120.0° | 120.0° |
| N20 | C44 | H441 | H443 | 120.0° | 120.0° |
| N20 | C44 | H442 | H443 | 120.0° | 120.0° |
| C44 | N20 | C45 | H451 | 102.1° | 62.5° |
| C44 | N20 | C45 | H452 | 17.9° | 57.5° |
| C44 | N20 | C45 | H453 | 137.9° | 177.5° |
| C45 | N20 | C21 | C22 | 79.1° | 179.2° |
| C45 | N20 | C19 | H19 | 52.2° | 23.7° |
| C45 | N20 | C21 | H211 | 40.9° | 60.2° |
| C45 | N20 | C21 | H212 | 164.9° | 59.0° |
| C45 | N20 | C44 | H441 | 5.9° | 175.3° |
| C45 | N20 | C44 | H442 | 114.1° | 55.3° |
| C45 | N20 | C44 | H443 | 125.9° | 64.7° |
| N20 | C45 | H451 | H452 | 120.0° | 120.0° |
| N20 | C45 | H451 | H453 | 120.0° | 120.1° |
| N20 | C45 | H452 | H453 | 120.0° | 120.0° |
| C21 | C22 | C23 | H221 | 120.0° | 117.1° |
| C21 | C22 | C23 | H222 | 116.8° | 122.6° |
| C21 | C22 | C23 | C24 | 9.2° | 31.5° |
| C21 | C22 | C23 | C25 | 170.1° | 148.8° |
| C22 | C21 | H211 | H212 | 116.5° | 120.3° |
| C21 | C22 | H221 | H222 | 117.1° | 123.7° |
| C22 | C23 | C24 | C25 | 179.3° | 179.8° |
| C22 | C23 | C24 | C28 | 180.0° | 174.4° |
| C22 | C23 | C25 | C26 | 179.2° | 177.3° |
| C23 | C22 | C21 | H211 | 129.9° | 57.1° |
| C23 | C22 | C21 | H212 | 106.1° | 176.9° |
| C23 | C22 | H221 | H222 | 117.1° | 121.5° |
| C22 | C23 | C25 | H25 | 0.9° | 2.7° |
| C24 | C23 | C25 | C26 | 0.1° | 2.9° |
| C23 | C24 | C28 | C27 | 1.4° | 5.1° |
| C23 | C24 | C28 | O29 | 176.4° | 173.1° |
| C23 | C24 | C19 | H19 | 149.5° | 127.7° |
| C24 | C23 | C22 | H221 | 129.2° | 148.6° |
| C24 | C23 | C22 | H222 | 107.6° | 91.2° |
| C24 | C23 | C25 | H25 | 179.9° | 177.1° |
| C25 | C23 | C24 | C28 | 0.7° | 5.9° |
| C23 | C25 | C26 | H25 | 180.0° | 180.0° |
| C23 | C25 | C26 | C27 | 0.2° | 0.9° |
| C23 | C25 | C26 | O40 | 180.0° | 179.2° |
| C25 | C23 | C22 | H221 | 50.1° | 31.6° |
| C25 | C23 | C22 | H222 | 73.1° | 88.6° |
| C24 | C28 | C27 | C26 | 1.3° | 1.5° |
| C24 | C28 | C27 | O29 | 174.8° | 177.9° |
| C24 | C28 | C27 | O42 | 179.6° | 178.5° |
| C24 | C28 | O29 | C30 | 109.7° | 177.9° |
| C28 | C24 | C19 | H19 | 33.5° | 50.3° |
| C25 | C26 | C27 | O40 | 179.9° | 180.0° |
| C25 | C26 | C27 | C28 | 0.5° | 1.5° |
| C25 | C26 | C27 | O42 | 179.6° | 178.6° |
| C25 | C26 | O40 | C41 | 15.8° | 0.0° |
| C26 | C27 | C28 | O42 | 179.0° | 179.9° |
| C26 | C27 | C28 | O29 | 176.1° | 176.4° |
| C27 | C26 | O40 | C41 | 164.4° | 179.9° |
| C27 | C26 | C25 | H25 | 179.8° | 179.1° |
| C26 | C27 | O42 | H42 | 98.1° | 90.0° |
| O40 | C26 | C27 | C28 | 179.3° | 178.5° |
| O40 | C26 | C27 | O42 | 0.3° | 1.4° |
| O40 | C26 | C25 | H25 | 0.1° | 0.8° |
| C26 | O40 | C41 | H411 | 104.5° | 60.0° |
| C26 | O40 | C41 | H412 | 15.5° | 60.0° |
| C26 | O40 | C41 | H413 | 135.5° | 179.9° |
| C27 | C28 | O29 | C30 | 75.4° | 0.1° |
| C28 | C27 | O42 | H42 | 80.9° | 90.0° |
| O42 | C27 | C28 | O29 | 4.9° | 3.6° |
| C28 | O29 | C30 | C31 | 157.3° | 69.7° |
| C28 | O29 | C30 | C35 | 23.8° | 109.5° |
| O29 | C30 | C31 | C35 | 178.9° | 179.2° |
| O29 | C30 | C31 | C32 | 179.3° | 179.4° |
| O29 | C30 | C35 | C34 | 179.1° | 179.2° |
| O29 | C30 | C31 | H31 | 0.6° | 0.6° |
| O29 | C30 | C35 | H35 | 0.9° | 0.9° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.3° | 0.3° |
| C31 | C30 | C35 | C34 | 0.3° | 1.6° |
| C31 | C30 | C35 | H35 | 179.7° | 178.4° |
| C30 | C31 | C32 | H32 | 179.7° | 179.2° |
| C35 | C30 | C31 | C32 | 0.4° | 1.4° |
| C30 | C35 | C34 | C33 | 0.0° | 0.1° |
| C30 | C35 | C34 | H35 | 180.0° | 180.0° |
| C35 | C30 | C31 | H31 | 179.5° | 178.6° |
| C30 | C35 | C34 | H34 | 180.0° | 180.0° |
| C31 | C32 | C33 | H32 | 180.0° | 179.5° |
| C31 | C32 | C33 | C34 | 0.0° | 1.9° |
| C31 | C32 | C33 | C36 | 179.4° | 176.7° |
| C32 | C33 | C34 | C36 | 179.4° | 178.6° |
| C32 | C33 | C34 | C35 | 0.1° | 1.7° |
| C32 | C33 | C36 | H361 | 153.2° | 68.8° |
| C32 | C33 | C36 | H362 | 33.0° | 170.4° |
| C33 | C32 | C31 | H31 | 179.7° | 179.7° |
| C32 | C33 | C34 | H34 | 179.9° | 178.2° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C34 | C33 | C36 | H361 | 27.4° | 112.6° |
| C34 | C33 | C36 | H362 | 147.6° | 8.3° |
| C33 | C34 | C35 | H35 | 180.0° | 179.9° |
| C34 | C33 | C32 | H32 | 180.0° | 177.6° |
| C36 | C33 | C34 | C35 | 179.5° | 176.9° |
| C33 | C36 | C6 | H6 | 64.4° | 55.7° |
| C33 | C36 | H361 | H362 | 119.8° | 120.6° |
| C36 | C33 | C32 | H32 | 0.6° | 3.7° |
| C36 | C33 | C34 | H34 | 0.5° | 3.2° |
| O37 | C38 | H381 | H382 | 120.0° | 120.0° |
| O37 | C38 | H381 | H383 | 120.0° | 120.1° |
| O37 | C38 | H382 | H383 | 120.0° | 120.0° |
| O40 | C41 | H411 | H412 | 120.0° | 120.1° |
| O40 | C41 | H411 | H413 | 120.0° | 120.0° |
| O40 | C41 | H412 | H413 | 120.0° | 120.0° |
| H1 | N1 | C2 | H21C | 45.9° | 60.2° |
| H1 | N1 | C2 | H22C | 75.2° | 57.5° |
| H1 | N1 | C6 | H6 | 71.2° | 64.9° |
| H1 | N1 | C43 | H431 | 165.1° | 59.3° |
| H1 | N1 | C43 | H432 | 74.9° | 60.7° |
| H1 | N1 | C43 | H433 | 45.1° | 179.2° |
| H21C | C2 | C3 | H31C | 42.5° | 36.5° |
| H21C | C2 | C3 | H32C | 164.3° | 153.9° |
| H22C | C2 | C3 | H31C | 78.5° | 81.1° |
| H22C | C2 | C3 | H32C | 43.2° | 36.4° |
| H6 | C6 | C36 | H361 | 55.6° | 64.1° |
| H6 | C6 | C36 | H362 | 175.8° | 174.9° |
| H431 | C43 | H432 | H433 | 120.0° | 120.0° |
| H14 | C14 | C15 | H15 | 0.1° | 3.7° |
| H181 | C18 | C19 | H19 | 140.6° | 166.5° |
| H182 | C18 | C19 | H19 | 97.1° | 79.8° |
| H211 | C21 | C22 | H221 | 9.9° | 60.0° |
| H211 | C21 | C22 | H222 | 113.3° | 178.6° |
| H212 | C21 | C22 | H221 | 133.9° | 59.9° |
| H212 | C21 | C22 | H222 | 10.7° | 61.6° |
| H441 | C44 | H442 | H443 | 120.0° | 120.0° |
| H451 | C45 | H452 | H453 | 120.0° | 120.0° |
| H31 | C31 | C32 | H32 | 0.3° | 0.8° |
| H35 | C35 | C34 | H34 | 0.0° | 0.0° |
| H381 | C38 | H382 | H383 | 120.0° | 120.0° |
| H411 | C41 | H412 | H413 | 120.0° | 119.9° |
