R84
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.40Å | |
| O2 | C3 | sing | 1.36Å | 1.39Å | |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | O6 | sing | 1.36Å | 1.38Å | |
| C5 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| O6 | C7 | sing | 1.43Å | 1.48Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | S19 | sing | 1.76Å | 1.78Å | |
| C9 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | N11 | sing | 1.40Å | 1.41Å | |
| N11 | C12 | sing | 1.35Å | 1.42Å | |
| C12 | O13 | doub | 1.21Å | 1.20Å | |
| C12 | C14 | sing | 1.51Å | 1.49Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C16 | O17 | doub | 1.21Å | 1.25Å | |
| C16 | O18 | sing | 1.34Å | 1.38Å | |
| S19 | O20 | doub | 1.42Å | 1.43Å | |
| S19 | O21 | doub | 1.42Å | 1.43Å | |
| S19 | N22 | sing | 1.66Å | 1.72Å | |
| N22 | C23 | sing | 1.47Å | 1.53Å | |
| C23 | C24 | sing | 1.51Å | 1.55Å | |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C29 | doub | 1.39Å | 1.37Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.43Å | Aromatic |
| C29 | N30 | sing | 1.40Å | 1.37Å | |
| N30 | C31 | sing | 1.47Å | 1.45Å | |
| N30 | C44 | sing | 1.47Å | 1.47Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | C43 | sing | 1.53Å | 1.53Å | |
| C34 | O35 | sing | 1.45Å | 1.46Å | |
| O35 | C36 | sing | 1.34Å | 1.36Å | |
| C36 | O37 | doub | 1.21Å | 1.23Å | |
| C36 | C38 | sing | 1.51Å | 1.52Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C39 | C40 | sing | 1.51Å | 1.53Å | |
| C40 | O41 | doub | 1.21Å | 1.22Å | |
| C40 | O42 | sing | 1.34Å | 1.35Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C7 | H73C | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| O18 | H18 | sing | 0.97Å | 0.95Å | |
| N22 | H22 | sing | 0.97Å | 1.00Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| O42 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 109.9° | 117.0° |
| O2 | C1 | H11C | 109.5° | 109.5° |
| O2 | C1 | H12C | 109.5° | 109.5° |
| O2 | C1 | H13C | 109.5° | 109.5° |
| O2 | C3 | C4 | 121.0° | 120.1° |
| O2 | C3 | C10 | 118.3° | 120.1° |
| C4 | C3 | C10 | 120.7° | 119.9° |
| C3 | C4 | C5 | 117.7° | 120.0° |
| C3 | C4 | H4 | 121.1° | 120.0° |
| C3 | C10 | C9 | 120.2° | 119.9° |
| C3 | C10 | N11 | 120.2° | 120.0° |
| C4 | C5 | O6 | 121.3° | 120.0° |
| C4 | C5 | C8 | 121.7° | 120.1° |
| C5 | C4 | H4 | 121.2° | 120.0° |
| O6 | C5 | C8 | 117.1° | 120.0° |
| C5 | O6 | C7 | 110.9° | 117.0° |
| C5 | C8 | C9 | 119.2° | 120.1° |
| C5 | C8 | S19 | 119.6° | 119.9° |
| O6 | C7 | H71C | 109.5° | 109.5° |
| O6 | C7 | H72C | 109.5° | 109.5° |
| O6 | C7 | H73C | 109.5° | 109.5° |
| C9 | C8 | S19 | 121.0° | 120.0° |
| C8 | C9 | C10 | 120.4° | 120.1° |
| C8 | C9 | H9 | 119.8° | 120.0° |
| C8 | S19 | O20 | 95.8° | 106.4° |
| C8 | S19 | O21 | 107.3° | 106.4° |
| C8 | S19 | N22 | 105.5° | 107.2° |
| C9 | C10 | N11 | 119.5° | 120.1° |
| C10 | C9 | H9 | 119.8° | 119.9° |
| C10 | N11 | C12 | 128.4° | 120.0° |
| C10 | N11 | H11 | 115.8° | 120.0° |
| N11 | C12 | O13 | 122.6° | 120.0° |
| N11 | C12 | C14 | 122.0° | 120.0° |
| C12 | N11 | H11 | 115.8° | 120.0° |
| O13 | C12 | C14 | 115.3° | 120.0° |
| C12 | C14 | C15 | 109.4° | 109.5° |
| C12 | C14 | H141 | 109.5° | 109.5° |
| C12 | C14 | H142 | 109.5° | 109.5° |
| C14 | C15 | C16 | 107.5° | 109.5° |
| C15 | C14 | H141 | 109.5° | 109.5° |
| C15 | C14 | H142 | 109.5° | 109.5° |
| C14 | C15 | H151 | 110.0° | 109.5° |
| C14 | C15 | H152 | 110.0° | 109.5° |
| C15 | C16 | O17 | 116.8° | 120.0° |
| C15 | C16 | O18 | 118.2° | 120.0° |
| C16 | C15 | H151 | 110.0° | 109.5° |
| C16 | C15 | H152 | 109.9° | 109.5° |
| O17 | C16 | O18 | 124.9° | 120.0° |
| C16 | O18 | H18 | 109.5° | 117.0° |
| O20 | S19 | O21 | 129.5° | 123.2° |
| O20 | S19 | N22 | 110.1° | 106.4° |
| O21 | S19 | N22 | 106.0° | 106.4° |
| S19 | N22 | C23 | 129.9° | 120.0° |
| S19 | N22 | H22 | 104.1° | 120.0° |
| N22 | C23 | C24 | 114.6° | 109.5° |
| C23 | N22 | H22 | 104.2° | 120.0° |
| N22 | C23 | H231 | 108.2° | 109.5° |
| N22 | C23 | H232 | 108.2° | 109.5° |
| C23 | C24 | C25 | 122.6° | 120.1° |
| C23 | C24 | C29 | 122.1° | 120.0° |
| C24 | C23 | H231 | 108.2° | 109.5° |
| C24 | C23 | H232 | 108.2° | 109.5° |
| C25 | C24 | C29 | 115.3° | 119.9° |
| C24 | C25 | C26 | 122.3° | 120.1° |
| C24 | C25 | H25 | 118.9° | 119.9° |
| C24 | C29 | C28 | 122.8° | 119.8° |
| C24 | C29 | N30 | 116.3° | 120.1° |
| C25 | C26 | C27 | 122.8° | 120.1° |
| C26 | C25 | H25 | 118.9° | 120.0° |
| C25 | C26 | H26 | 118.6° | 119.9° |
| C26 | C27 | C28 | 114.8° | 120.1° |
| C27 | C26 | H26 | 118.6° | 120.0° |
| C26 | C27 | H27 | 122.6° | 119.9° |
| C27 | C28 | C29 | 122.0° | 119.9° |
| C28 | C27 | H27 | 122.6° | 120.0° |
| C27 | C28 | H28 | 119.0° | 120.1° |
| C28 | C29 | N30 | 120.9° | 120.1° |
| C29 | C28 | H28 | 119.0° | 120.0° |
| C29 | N30 | C31 | 109.2° | 111.0° |
| C29 | N30 | C44 | 108.7° | 111.0° |
| C31 | N30 | C44 | 105.6° | 111.2° |
| N30 | C31 | C32 | 103.8° | 109.6° |
| N30 | C31 | H311 | 110.9° | 109.5° |
| N30 | C31 | H312 | 110.9° | 109.5° |
| N30 | C44 | C43 | 107.6° | 109.5° |
| N30 | C44 | H441 | 109.9° | 109.4° |
| N30 | C44 | H442 | 109.9° | 109.4° |
| C31 | C32 | C33 | 112.2° | 109.3° |
| C32 | C31 | H311 | 110.9° | 109.5° |
| C32 | C31 | H312 | 110.9° | 109.5° |
| C31 | C32 | H321 | 108.8° | 109.5° |
| C31 | C32 | H322 | 108.8° | 109.5° |
| C32 | C33 | C34 | 110.1° | 109.5° |
| C32 | C33 | C43 | 117.1° | 109.1° |
| C33 | C32 | H321 | 108.8° | 109.6° |
| C33 | C32 | H322 | 108.8° | 109.5° |
| C32 | C33 | H33 | 105.0° | 109.5° |
| C34 | C33 | C43 | 113.3° | 109.5° |
| C33 | C34 | O35 | 107.6° | 109.5° |
| C34 | C33 | H33 | 105.1° | 109.6° |
| C33 | C34 | H341 | 109.9° | 109.4° |
| C33 | C34 | H342 | 110.0° | 109.5° |
| C33 | C43 | C44 | 116.4° | 109.3° |
| C43 | C33 | H33 | 105.0° | 109.6° |
| C33 | C43 | H431 | 107.7° | 109.5° |
| C33 | C43 | H432 | 107.7° | 109.5° |
| C34 | O35 | C36 | 122.0° | 117.0° |
| O35 | C34 | H341 | 109.9° | 109.4° |
| O35 | C34 | H342 | 110.0° | 109.5° |
| O35 | C36 | O37 | 121.2° | 120.0° |
| O35 | C36 | C38 | 118.1° | 120.0° |
| O37 | C36 | C38 | 120.7° | 120.0° |
| C36 | C38 | C39 | 110.6° | 109.5° |
| C36 | C38 | H381 | 109.2° | 109.5° |
| C36 | C38 | H382 | 109.2° | 109.5° |
| C38 | C39 | C40 | 116.1° | 109.5° |
| C39 | C38 | H381 | 109.2° | 109.5° |
| C39 | C38 | H382 | 109.2° | 109.4° |
| C38 | C39 | H391 | 107.8° | 109.5° |
| C38 | C39 | H392 | 107.8° | 109.4° |
| C39 | C40 | O41 | 120.0° | 120.0° |
| C39 | C40 | O42 | 122.1° | 120.0° |
| C40 | C39 | H391 | 107.8° | 109.5° |
| C40 | C39 | H392 | 107.8° | 109.5° |
| O41 | C40 | O42 | 117.9° | 120.0° |
| C40 | O42 | H42 | 109.5° | 117.0° |
| C43 | C44 | H441 | 109.9° | 109.5° |
| C43 | C44 | H442 | 110.0° | 109.4° |
| C44 | C43 | H431 | 107.7° | 109.5° |
| C44 | C43 | H432 | 107.7° | 109.5° |
| H11C | C1 | H12C | 109.4° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.4° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| H71C | C7 | H72C | 109.5° | 109.5° |
| H71C | C7 | H73C | 109.5° | 109.5° |
| H72C | C7 | H73C | 109.4° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H311 | C31 | H312 | 109.5° | 109.4° |
| H441 | C44 | H442 | 109.4° | 109.5° |
| H321 | C32 | H322 | 109.4° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.5° |
| H431 | C43 | H432 | 109.4° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | C4 | 13.4° | 0.0° |
| C1 | O2 | C3 | C10 | 165.2° | 179.7° |
| O2 | C1 | H11C | H12C | 120.0° | 120.0° |
| O2 | C1 | H11C | H13C | 120.0° | 120.0° |
| O2 | C1 | H12C | H13C | 120.0° | 120.0° |
| O2 | C3 | C4 | C10 | 178.6° | 179.8° |
| O2 | C3 | C4 | C5 | 179.3° | 180.0° |
| O2 | C3 | C10 | C9 | 179.1° | 179.8° |
| O2 | C3 | C10 | N11 | 2.4° | 0.0° |
| C3 | O2 | C1 | H11C | 180.0° | 60.0° |
| C3 | O2 | C1 | H12C | 60.0° | 180.0° |
| C3 | O2 | C1 | H13C | 60.0° | 60.0° |
| O2 | C3 | C4 | H4 | 0.7° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | O6 | 179.3° | 179.9° |
| C3 | C4 | C5 | C8 | 0.9° | 0.0° |
| C4 | C3 | C10 | C9 | 2.3° | 0.5° |
| C4 | C3 | C10 | N11 | 179.0° | 179.7° |
| C10 | C3 | C4 | C5 | 0.8° | 0.2° |
| C3 | C10 | C9 | C8 | 4.0° | 0.5° |
| C3 | C10 | C9 | N11 | 176.7° | 179.8° |
| C3 | C10 | N11 | C12 | 153.4° | 155.4° |
| C10 | C3 | C4 | H4 | 179.2° | 179.7° |
| C3 | C10 | C9 | H9 | 176.0° | 179.8° |
| C3 | C10 | N11 | H11 | 26.6° | 24.7° |
| C4 | C5 | O6 | C8 | 179.8° | 179.9° |
| C4 | C5 | O6 | C7 | 13.3° | 0.0° |
| C4 | C5 | C8 | C9 | 2.5° | 0.1° |
| C4 | C5 | C8 | S19 | 178.8° | 180.0° |
| O6 | C5 | C8 | C9 | 177.7° | 180.0° |
| O6 | C5 | C8 | S19 | 1.4° | 0.0° |
| O6 | C5 | C4 | H4 | 0.7° | 0.0° |
| C5 | O6 | C7 | H71C | 180.0° | 60.0° |
| C5 | O6 | C7 | H72C | 60.0° | 60.1° |
| C5 | O6 | C7 | H73C | 60.0° | 180.0° |
| C8 | C5 | O6 | C7 | 166.9° | 180.0° |
| C5 | C8 | C9 | S19 | 176.2° | 179.9° |
| C5 | C8 | C9 | C10 | 4.1° | 0.3° |
| C5 | C8 | S19 | O20 | 173.2° | 48.6° |
| C5 | C8 | S19 | O21 | 52.2° | 178.5° |
| C5 | C8 | S19 | N22 | 60.5° | 65.0° |
| C8 | C5 | C4 | H4 | 179.1° | 179.9° |
| C5 | C8 | C9 | H9 | 175.9° | 180.0° |
| O6 | C7 | H71C | H72C | 120.0° | 120.1° |
| O6 | C7 | H71C | H73C | 120.0° | 120.0° |
| O6 | C7 | H72C | H73C | 120.0° | 120.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.7° |
| C8 | C9 | C10 | N11 | 179.3° | 179.7° |
| C9 | C8 | S19 | O20 | 2.9° | 131.5° |
| C9 | C8 | S19 | O21 | 131.6° | 1.4° |
| C9 | C8 | S19 | N22 | 115.7° | 114.9° |
| S19 | C8 | C9 | C10 | 179.8° | 179.7° |
| C8 | S19 | O20 | O21 | 118.1° | 123.0° |
| C8 | S19 | O20 | N22 | 108.9° | 114.1° |
| C8 | S19 | O21 | N22 | 112.4° | 114.1° |
| C8 | S19 | N22 | C23 | 52.5° | 65.0° |
| S19 | C8 | C9 | H9 | 0.2° | 0.0° |
| C8 | S19 | N22 | H22 | 175.2° | 115.0° |
| C9 | C10 | N11 | C12 | 29.9° | 24.8° |
| C9 | C10 | N11 | H11 | 150.1° | 155.1° |
| C10 | N11 | C12 | H11 | 180.0° | 179.9° |
| C10 | N11 | C12 | O13 | 3.1° | 5.5° |
| C10 | N11 | C12 | C14 | 175.0° | 174.4° |
| N11 | C10 | C9 | H9 | 0.7° | 0.0° |
| N11 | C12 | O13 | C14 | 178.2° | 179.9° |
| N11 | C12 | C14 | C15 | 73.9° | 180.0° |
| N11 | C12 | C14 | H141 | 166.1° | 60.0° |
| N11 | C12 | C14 | H142 | 46.1° | 59.9° |
| O13 | C12 | C14 | C15 | 107.8° | 0.0° |
| O13 | C12 | N11 | H11 | 176.9° | 174.6° |
| O13 | C12 | C14 | H141 | 12.1° | 120.1° |
| O13 | C12 | C14 | H142 | 132.2° | 120.0° |
| C12 | C14 | C15 | H141 | 120.0° | 120.0° |
| C12 | C14 | C15 | H142 | 120.0° | 120.0° |
| C12 | C14 | C15 | C16 | 178.9° | 180.0° |
| C14 | C12 | N11 | H11 | 5.0° | 5.5° |
| C12 | C14 | H141 | H142 | 120.0° | 119.9° |
| C12 | C14 | C15 | H151 | 61.4° | 60.0° |
| C12 | C14 | C15 | H152 | 59.2° | 59.9° |
| C14 | C15 | C16 | H151 | 119.7° | 120.0° |
| C14 | C15 | C16 | H152 | 119.7° | 120.0° |
| C14 | C15 | C16 | O17 | 150.6° | 0.0° |
| C14 | C15 | C16 | O18 | 26.6° | 180.0° |
| C15 | C14 | H141 | H142 | 120.0° | 120.0° |
| C14 | C15 | H151 | H152 | 120.9° | 120.0° |
| C15 | C16 | O17 | O18 | 177.1° | 180.0° |
| C16 | C15 | C14 | H141 | 58.9° | 60.0° |
| C16 | C15 | C14 | H142 | 61.1° | 60.0° |
| C16 | C15 | H151 | H152 | 120.9° | 120.0° |
| C15 | C16 | O18 | H18 | 177.0° | 180.0° |
| O17 | C16 | C15 | H151 | 89.7° | 120.0° |
| O17 | C16 | C15 | H152 | 31.0° | 120.0° |
| O17 | C16 | O18 | H18 | 0.0° | 0.0° |
| O18 | C16 | C15 | H151 | 93.1° | 60.0° |
| O18 | C16 | C15 | H152 | 146.3° | 60.0° |
| O20 | S19 | O21 | N22 | 134.4° | 122.9° |
| O20 | S19 | N22 | C23 | 49.8° | 48.6° |
| O20 | S19 | N22 | H22 | 72.8° | 131.4° |
| O21 | S19 | N22 | C23 | 166.1° | 178.5° |
| O21 | S19 | N22 | H22 | 71.2° | 1.5° |
| S19 | N22 | C23 | H22 | 122.6° | 180.0° |
| S19 | N22 | C23 | C24 | 110.1° | 165.0° |
| S19 | N22 | C23 | H231 | 10.7° | 75.0° |
| S19 | N22 | C23 | H232 | 129.1° | 45.0° |
| N22 | C23 | C24 | H231 | 120.8° | 120.0° |
| N22 | C23 | C24 | H232 | 120.8° | 120.0° |
| N22 | C23 | C24 | C25 | 129.0° | 100.1° |
| N22 | C23 | C24 | C29 | 50.9° | 79.7° |
| N22 | C23 | H231 | H232 | 117.6° | 120.0° |
| C23 | C24 | C25 | C29 | 179.9° | 179.8° |
| C23 | C24 | C25 | C26 | 178.8° | 180.0° |
| C23 | C24 | C29 | C28 | 179.6° | 179.7° |
| C23 | C24 | C29 | N30 | 1.0° | 0.0° |
| C24 | C23 | N22 | H22 | 127.3° | 15.0° |
| C24 | C23 | H231 | H232 | 117.7° | 120.0° |
| C23 | C24 | C25 | H25 | 1.2° | 0.1° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.2° | 0.1° |
| C25 | C24 | C29 | C28 | 0.3° | 0.5° |
| C25 | C24 | C29 | N30 | 179.1° | 179.8° |
| C25 | C24 | C23 | H231 | 8.3° | 139.9° |
| C25 | C24 | C23 | H232 | 110.2° | 20.0° |
| C24 | C25 | C26 | H26 | 179.8° | 180.0° |
| C29 | C24 | C25 | C26 | 1.0° | 0.2° |
| C24 | C29 | C28 | C27 | 1.9° | 0.5° |
| C24 | C29 | C28 | N30 | 179.4° | 179.7° |
| C24 | C29 | N30 | C31 | 173.4° | 120.0° |
| C24 | C29 | N30 | C44 | 71.9° | 115.8° |
| C29 | C24 | C23 | H231 | 171.6° | 40.3° |
| C29 | C24 | C23 | H232 | 69.9° | 160.2° |
| C29 | C24 | C25 | H25 | 179.0° | 179.7° |
| C24 | C29 | C28 | H28 | 178.1° | 179.8° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 2.2° | 0.1° |
| C25 | C26 | C27 | H27 | 177.8° | 179.9° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 3.0° | 0.3° |
| C27 | C26 | C25 | H25 | 179.8° | 180.0° |
| C26 | C27 | C28 | H28 | 177.0° | 179.9° |
| C27 | C28 | C29 | H28 | 180.0° | 179.7° |
| C27 | C28 | C29 | N30 | 178.7° | 179.8° |
| C28 | C27 | C26 | H26 | 177.8° | 180.0° |
| C28 | C29 | N30 | C31 | 7.2° | 59.7° |
| C28 | C29 | N30 | C44 | 107.6° | 64.5° |
| C29 | C28 | C27 | H27 | 177.0° | 179.8° |
| C29 | N30 | C31 | C44 | 116.7° | 124.1° |
| C29 | N30 | C31 | C32 | 161.0° | 174.2° |
| C29 | N30 | C44 | C43 | 170.5° | 174.2° |
| N30 | C29 | C28 | H28 | 1.3° | 0.1° |
| C29 | N30 | C31 | H311 | 41.9° | 54.1° |
| C29 | N30 | C31 | H312 | 79.9° | 65.8° |
| C29 | N30 | C44 | H441 | 69.8° | 65.8° |
| C29 | N30 | C44 | H442 | 50.7° | 54.2° |
| N30 | C31 | C32 | H311 | 119.1° | 120.1° |
| N30 | C31 | C32 | H312 | 119.1° | 120.0° |
| N30 | C31 | C32 | C33 | 55.0° | 59.2° |
| C31 | N30 | C44 | C43 | 72.5° | 61.7° |
| N30 | C31 | H311 | H312 | 122.6° | 119.9° |
| C31 | N30 | C44 | H441 | 47.2° | 58.3° |
| C31 | N30 | C44 | H442 | 167.8° | 178.3° |
| N30 | C31 | C32 | H321 | 65.4° | 60.8° |
| N30 | C31 | C32 | H322 | 175.5° | 179.2° |
| C44 | N30 | C31 | C32 | 82.2° | 61.7° |
| N30 | C44 | C43 | C33 | 36.6° | 59.2° |
| N30 | C44 | C43 | H441 | 119.7° | 120.0° |
| N30 | C44 | C43 | H442 | 119.7° | 120.0° |
| C44 | N30 | C31 | H311 | 158.7° | 178.2° |
| C44 | N30 | C31 | H312 | 36.8° | 58.3° |
| N30 | C44 | H441 | H442 | 120.8° | 120.0° |
| N30 | C44 | C43 | H431 | 84.4° | 60.8° |
| N30 | C44 | C43 | H432 | 157.6° | 179.2° |
| C31 | C32 | C33 | H321 | 120.4° | 119.9° |
| C31 | C32 | C33 | H322 | 120.4° | 120.0° |
| C31 | C32 | C33 | C34 | 108.3° | 62.2° |
| C31 | C32 | C33 | C43 | 23.1° | 57.6° |
| C32 | C31 | H311 | H312 | 122.7° | 119.9° |
| C31 | C32 | H321 | H322 | 118.7° | 120.0° |
| C31 | C32 | C33 | H33 | 139.1° | 177.6° |
| C32 | C33 | C34 | C43 | 133.4° | 119.6° |
| C32 | C33 | C34 | H33 | 112.6° | 120.1° |
| C32 | C33 | C43 | H33 | 116.0° | 119.9° |
| C32 | C33 | C34 | O35 | 147.9° | 175.0° |
| C32 | C33 | C43 | C44 | 14.2° | 57.7° |
| C33 | C32 | C31 | H311 | 174.1° | 179.2° |
| C33 | C32 | C31 | H312 | 64.0° | 60.8° |
| C33 | C32 | H321 | H322 | 118.8° | 120.1° |
| C32 | C33 | C34 | H341 | 28.2° | 55.1° |
| C32 | C33 | C34 | H342 | 92.4° | 65.0° |
| C32 | C33 | C43 | H431 | 106.8° | 62.3° |
| C32 | C33 | C43 | H432 | 135.2° | 177.6° |
| C34 | C33 | C43 | H33 | 114.2° | 120.2° |
| C33 | C34 | O35 | H341 | 119.7° | 119.9° |
| C33 | C34 | O35 | H342 | 119.7° | 120.0° |
| C33 | C34 | O35 | C36 | 143.4° | 180.0° |
| C34 | C33 | C43 | C44 | 115.7° | 62.2° |
| C34 | C33 | C32 | H321 | 131.3° | 177.8° |
| C34 | C33 | C32 | H322 | 12.1° | 57.7° |
| C33 | C34 | H341 | H342 | 120.9° | 120.0° |
| C34 | C33 | C43 | H431 | 123.3° | 177.8° |
| C34 | C33 | C43 | H432 | 5.3° | 57.8° |
| C43 | C33 | C34 | O35 | 78.8° | 65.4° |
| C33 | C43 | C44 | H431 | 121.0° | 120.0° |
| C33 | C43 | C44 | H432 | 121.0° | 120.0° |
| C33 | C43 | C44 | H441 | 83.2° | 60.8° |
| C33 | C43 | C44 | H442 | 156.3° | 179.2° |
| C43 | C33 | C32 | H321 | 97.3° | 62.3° |
| C43 | C33 | C32 | H322 | 143.5° | 177.6° |
| C43 | C33 | C34 | H341 | 161.6° | 174.7° |
| C43 | C33 | C34 | H342 | 41.0° | 54.6° |
| C33 | C43 | H431 | H432 | 116.8° | 120.1° |
| C34 | O35 | C36 | O37 | 37.4° | 0.1° |
| C34 | O35 | C36 | C38 | 142.1° | 180.0° |
| O35 | C34 | C33 | H33 | 35.3° | 54.8° |
| O35 | C34 | H341 | H342 | 120.9° | 120.0° |
| O35 | C36 | O37 | C38 | 179.5° | 180.0° |
| O35 | C36 | C38 | C39 | 176.9° | 179.9° |
| C36 | O35 | C34 | H341 | 96.9° | 60.1° |
| C36 | O35 | C34 | H342 | 23.7° | 60.0° |
| O35 | C36 | C38 | H381 | 62.9° | 60.0° |
| O35 | C36 | C38 | H382 | 56.7° | 60.0° |
| O37 | C36 | C38 | C39 | 2.6° | 0.0° |
| O37 | C36 | C38 | H381 | 117.6° | 120.0° |
| O37 | C36 | C38 | H382 | 122.7° | 120.0° |
| C36 | C38 | C39 | H381 | 120.2° | 120.0° |
| C36 | C38 | C39 | H382 | 120.2° | 120.0° |
| C36 | C38 | C39 | C40 | 77.4° | 180.0° |
| C36 | C38 | H381 | H382 | 119.5° | 120.0° |
| C36 | C38 | C39 | H391 | 43.6° | 60.0° |
| C36 | C38 | C39 | H392 | 161.7° | 60.0° |
| C38 | C39 | C40 | H391 | 121.0° | 120.1° |
| C38 | C39 | C40 | H392 | 120.9° | 119.9° |
| C38 | C39 | C40 | O41 | 167.4° | 0.0° |
| C38 | C39 | C40 | O42 | 12.6° | 180.0° |
| C39 | C38 | H381 | H382 | 119.5° | 120.0° |
| C38 | C39 | H391 | H392 | 117.0° | 119.9° |
| C39 | C40 | O41 | O42 | 179.9° | 180.0° |
| C40 | C39 | C38 | H381 | 162.4° | 60.0° |
| C40 | C39 | C38 | H382 | 42.8° | 60.0° |
| C40 | C39 | H391 | H392 | 117.0° | 120.0° |
| C39 | C40 | O42 | H42 | 179.9° | 180.0° |
| O41 | C40 | C39 | H391 | 46.4° | 120.0° |
| O41 | C40 | C39 | H392 | 71.6° | 120.0° |
| O41 | C40 | O42 | H42 | 0.0° | 0.0° |
| O42 | C40 | C39 | H391 | 133.6° | 60.0° |
| O42 | C40 | C39 | H392 | 108.3° | 60.0° |
| C43 | C44 | H441 | H442 | 120.8° | 120.0° |
| C44 | C43 | C33 | H33 | 130.1° | 177.6° |
| C44 | C43 | H431 | H432 | 116.9° | 120.1° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H71C | C7 | H72C | H73C | 120.0° | 120.0° |
| H141 | C14 | C15 | H151 | 178.6° | 180.0° |
| H141 | C14 | C15 | H152 | 60.8° | 60.1° |
| H142 | C14 | C15 | H151 | 58.6° | 60.0° |
| H142 | C14 | C15 | H152 | 179.2° | 180.0° |
| H22 | N22 | C23 | H231 | 112.0° | 105.0° |
| H22 | N22 | C23 | H232 | 6.5° | 135.0° |
| H25 | C25 | C26 | H26 | 0.2° | 0.1° |
| H26 | C26 | C27 | H27 | 2.2° | 0.0° |
| H27 | C27 | C28 | H28 | 3.0° | 0.1° |
| H311 | C31 | C32 | H321 | 53.7° | 59.2° |
| H311 | C31 | C32 | H322 | 65.5° | 60.8° |
| H312 | C31 | C32 | H321 | 175.5° | 179.2° |
| H312 | C31 | C32 | H322 | 56.4° | 59.1° |
| H441 | C44 | C43 | H431 | 155.8° | 179.2° |
| H441 | C44 | C43 | H432 | 37.8° | 59.2° |
| H442 | C44 | C43 | H431 | 35.3° | 59.2° |
| H442 | C44 | C43 | H432 | 82.7° | 60.9° |
| H321 | C32 | C33 | H33 | 18.6° | 57.6° |
| H322 | C32 | C33 | H33 | 100.5° | 62.5° |
| H33 | C33 | C34 | H341 | 84.4° | 65.1° |
| H33 | C33 | C34 | H342 | 155.0° | 174.9° |
| H33 | C33 | C43 | H431 | 9.1° | 57.6° |
| H33 | C33 | C43 | H432 | 108.8° | 62.5° |
| H381 | C38 | C39 | H391 | 76.6° | 179.9° |
| H381 | C38 | C39 | H392 | 41.5° | 60.0° |
| H382 | C38 | C39 | H391 | 163.8° | 60.0° |
| H382 | C38 | C39 | H392 | 78.1° | 180.0° |
