1DM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | N20 | sing | 1.47Å | 1.46Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C22 | O22 | sing | 1.43Å | 1.43Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| O22 | C23 | sing | 1.43Å | 1.43Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C24 | N20 | sing | 1.47Å | 1.47Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| N20 | C20 | sing | 1.47Å | 1.46Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C19 | C30 | sing | 1.53Å | 1.54Å | |
| C19 | N18 | sing | 1.46Å | 1.49Å | |
| C19 | H19 | sing | 1.09Å | 1.11Å | |
| C30 | N19 | sing | 1.47Å | 1.47Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| N19 | C25 | sing | 1.47Å | 1.47Å | |
| N19 | C28 | sing | 1.47Å | 1.47Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C26 | O23 | sing | 1.43Å | 1.44Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| O23 | C27 | sing | 1.43Å | 1.44Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| N18 | C13 | sing | 1.35Å | 1.35Å | |
| N18 | H18 | sing | 0.97Å | 1.02Å | |
| C13 | O17 | doub | 1.22Å | 1.23Å | |
| C13 | C11 | sing | 1.48Å | 1.55Å | |
| C11 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C9 | N14 | sing | 1.48Å | 1.34Å | |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| N14 | O15 | sing | 1.22Å | 1.23Å | |
| N14 | O16 | doub | 1.22Å | 1.23Å | |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C7 | O1 | sing | 1.36Å | 1.36Å | |
| O1 | C1 | sing | 1.43Å | 1.40Å | |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| O5 | C5 | sing | 1.43Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | N20 | 109.9° | 109.5° |
| C22 | C21 | H211 | 112.1° | 109.4° |
| C22 | C21 | H212 | 112.0° | 109.4° |
| C21 | C22 | O22 | 109.3° | 109.7° |
| C21 | C22 | H221 | 112.3° | 109.4° |
| C21 | C22 | H222 | 112.3° | 109.4° |
| N20 | C21 | H211 | 112.1° | 109.4° |
| N20 | C21 | H212 | 112.0° | 109.5° |
| C21 | N20 | C24 | 109.1° | 106.7° |
| C21 | N20 | C20 | 108.6° | 106.7° |
| H211 | C21 | H212 | 98.4° | 109.5° |
| O22 | C22 | H221 | 112.3° | 109.4° |
| O22 | C22 | H222 | 112.2° | 109.4° |
| C22 | O22 | C23 | 108.6° | 107.2° |
| H221 | C22 | H222 | 98.2° | 109.4° |
| O22 | C23 | C24 | 109.1° | 109.7° |
| O22 | C23 | H231 | 112.4° | 109.4° |
| O22 | C23 | H232 | 112.4° | 109.4° |
| C24 | C23 | H231 | 112.4° | 109.4° |
| C24 | C23 | H232 | 112.3° | 109.4° |
| C23 | C24 | N20 | 109.7° | 109.5° |
| C23 | C24 | H241 | 112.1° | 109.5° |
| C23 | C24 | H242 | 112.1° | 109.4° |
| H231 | C23 | H232 | 98.0° | 109.4° |
| N20 | C24 | H241 | 112.1° | 109.5° |
| N20 | C24 | H242 | 112.1° | 109.5° |
| C24 | N20 | C20 | 108.3° | 106.7° |
| H241 | C24 | H242 | 98.3° | 109.4° |
| N20 | C20 | C19 | 113.9° | 109.5° |
| N20 | C20 | H201 | 110.6° | 109.4° |
| N20 | C20 | H202 | 110.6° | 109.5° |
| C19 | C20 | H201 | 110.6° | 109.5° |
| C19 | C20 | H202 | 110.6° | 109.5° |
| C20 | C19 | C30 | 109.7° | 109.5° |
| C20 | C19 | N18 | 116.3° | 109.5° |
| C20 | C19 | H19 | 104.7° | 109.5° |
| H201 | C20 | H202 | 99.7° | 109.5° |
| C30 | C19 | N18 | 110.1° | 109.4° |
| C30 | C19 | H19 | 111.6° | 109.4° |
| C19 | C30 | N19 | 111.0° | 109.5° |
| C19 | C30 | H301 | 111.7° | 109.5° |
| C19 | C30 | H302 | 111.7° | 109.5° |
| N18 | C19 | H19 | 104.3° | 109.5° |
| C19 | N18 | C13 | 128.5° | 119.9° |
| C19 | N18 | H18 | 121.5° | 120.1° |
| N19 | C30 | H301 | 111.6° | 109.5° |
| N19 | C30 | H302 | 111.6° | 109.4° |
| C30 | N19 | C25 | 109.9° | 106.7° |
| C30 | N19 | C28 | 108.7° | 106.7° |
| H301 | C30 | H302 | 98.7° | 109.5° |
| C25 | N19 | C28 | 110.1° | 106.6° |
| N19 | C25 | C26 | 110.3° | 109.5° |
| N19 | C25 | H251 | 111.9° | 109.4° |
| N19 | C25 | H252 | 111.8° | 109.4° |
| N19 | C28 | C27 | 110.1° | 109.5° |
| N19 | C28 | H281 | 112.0° | 109.4° |
| N19 | C28 | H282 | 112.0° | 109.5° |
| C26 | C25 | H251 | 111.9° | 109.5° |
| C26 | C25 | H252 | 111.9° | 109.5° |
| C25 | C26 | O23 | 108.6° | 109.7° |
| C25 | C26 | H261 | 112.5° | 109.4° |
| C25 | C26 | H262 | 112.5° | 109.4° |
| H251 | C25 | H252 | 98.5° | 109.5° |
| O23 | C26 | H261 | 112.5° | 109.4° |
| O23 | C26 | H262 | 112.5° | 109.4° |
| C26 | O23 | C27 | 109.8° | 107.2° |
| H261 | C26 | H262 | 98.0° | 109.4° |
| O23 | C27 | C28 | 109.8° | 109.8° |
| O23 | C27 | H271 | 112.1° | 109.4° |
| O23 | C27 | H272 | 112.1° | 109.4° |
| C28 | C27 | H271 | 112.0° | 109.4° |
| C28 | C27 | H272 | 112.1° | 109.4° |
| C27 | C28 | H281 | 112.0° | 109.5° |
| C27 | C28 | H282 | 112.0° | 109.5° |
| H271 | C27 | H272 | 98.3° | 109.4° |
| H281 | C28 | H282 | 98.3° | 109.4° |
| C13 | N18 | H18 | 110.0° | 120.0° |
| N18 | C13 | O17 | 126.6° | 120.0° |
| N18 | C13 | C11 | 114.0° | 120.0° |
| O17 | C13 | C11 | 119.4° | 120.0° |
| C13 | C11 | C12 | 119.4° | 120.1° |
| C13 | C11 | C10 | 120.9° | 120.1° |
| C12 | C11 | C10 | 119.7° | 119.8° |
| C11 | C12 | C7 | 120.4° | 119.8° |
| C11 | C12 | H12 | 119.9° | 120.1° |
| C11 | C10 | C9 | 120.3° | 120.0° |
| C11 | C10 | H10 | 119.9° | 120.0° |
| C7 | C12 | H12 | 119.8° | 120.1° |
| C12 | C7 | C8 | 119.4° | 120.0° |
| C12 | C7 | O1 | 120.2° | 120.0° |
| C9 | C10 | H10 | 119.8° | 120.0° |
| C10 | C9 | N14 | 120.4° | 119.9° |
| C10 | C9 | C8 | 119.6° | 120.2° |
| N14 | C9 | C8 | 120.0° | 119.9° |
| C9 | N14 | O15 | 119.7° | 119.9° |
| C9 | N14 | O16 | 120.7° | 120.1° |
| C9 | C8 | C7 | 120.8° | 120.3° |
| C9 | C8 | H8 | 119.3° | 119.9° |
| O15 | N14 | O16 | 119.6° | 120.0° |
| C7 | C8 | H8 | 119.9° | 119.8° |
| C8 | C7 | O1 | 120.4° | 120.0° |
| C7 | O1 | C1 | 117.3° | 106.8° |
| O1 | C1 | O5 | 108.2° | 109.4° |
| O1 | C1 | C2 | 107.5° | 109.3° |
| O1 | C1 | H1 | 112.8° | 109.4° |
| O5 | C1 | C2 | 112.6° | 109.8° |
| O5 | C1 | H1 | 107.6° | 109.4° |
| C1 | O5 | C5 | 112.5° | 107.6° |
| C2 | C1 | H1 | 108.2° | 109.4° |
| C1 | C2 | C3 | 110.5° | 109.0° |
| C1 | C2 | O2 | 110.4° | 109.5° |
| C1 | C2 | H2 | 107.6° | 109.5° |
| O5 | C5 | C6 | 109.2° | 109.4° |
| O5 | C5 | C4 | 113.9° | 109.7° |
| O5 | C5 | H5 | 107.3° | 109.4° |
| C6 | C5 | C4 | 111.4° | 109.4° |
| C6 | C5 | H5 | 110.0° | 109.4° |
| C5 | C6 | O6 | 108.5° | 109.5° |
| C5 | C6 | H61 | 112.5° | 109.5° |
| C5 | C6 | H62 | 112.5° | 109.5° |
| C4 | C5 | H5 | 104.8° | 109.4° |
| C5 | C4 | O4 | 111.7° | 109.7° |
| C5 | C4 | C3 | 110.6° | 109.0° |
| C5 | C4 | H4 | 107.1° | 109.4° |
| O6 | C6 | H61 | 112.6° | 109.5° |
| O6 | C6 | H62 | 112.6° | 109.5° |
| C6 | O6 | HO6 | 108.5° | 106.8° |
| H61 | C6 | H62 | 97.9° | 109.4° |
| O4 | C4 | C3 | 109.2° | 109.6° |
| O4 | C4 | H4 | 108.5° | 109.5° |
| C4 | O4 | HO4 | 111.7° | 106.9° |
| C3 | C4 | H4 | 109.7° | 109.5° |
| C4 | C3 | O3 | 109.7° | 109.7° |
| C4 | C3 | C2 | 110.5° | 108.6° |
| C4 | C3 | H3 | 108.9° | 109.7° |
| O3 | C3 | C2 | 110.2° | 109.6° |
| O3 | C3 | H3 | 109.2° | 109.7° |
| C3 | O3 | HO3 | 109.7° | 106.8° |
| C2 | C3 | H3 | 108.3° | 109.6° |
| C3 | C2 | O2 | 107.7° | 109.6° |
| C3 | C2 | H2 | 110.3° | 109.6° |
| O2 | C2 | H2 | 110.4° | 109.6° |
| C2 | O2 | HO2 | 110.4° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | N20 | H211 | 125.3° | 120.0° |
| C22 | C21 | N20 | H212 | 125.2° | 120.0° |
| C22 | C21 | H211 | H212 | 118.0° | 120.0° |
| C21 | C22 | O22 | H221 | 125.3° | 120.1° |
| C21 | C22 | O22 | H222 | 125.2° | 120.1° |
| C21 | C22 | H221 | H222 | 118.2° | 119.9° |
| C21 | C22 | O22 | C23 | 63.4° | 63.1° |
| C22 | C21 | N20 | C24 | 56.6° | 59.3° |
| C22 | C21 | N20 | C20 | 174.5° | 173.1° |
| N20 | C21 | H211 | H212 | 118.0° | 120.0° |
| N20 | C21 | C22 | O22 | 60.2° | 62.8° |
| N20 | C21 | C22 | H221 | 174.5° | 177.1° |
| N20 | C21 | C22 | H222 | 65.0° | 57.2° |
| C21 | N20 | C24 | C23 | 57.1° | 59.2° |
| C21 | N20 | C24 | C20 | 118.1° | 113.8° |
| C21 | N20 | C24 | H241 | 68.2° | 179.3° |
| C21 | N20 | C24 | H242 | 177.6° | 60.7° |
| C21 | N20 | C20 | C19 | 131.0° | 176.4° |
| C21 | N20 | C20 | H201 | 5.7° | 56.4° |
| C21 | N20 | C20 | H202 | 103.7° | 63.6° |
| H211 | C21 | C22 | O22 | 174.6° | 57.1° |
| H211 | C21 | C22 | H221 | 49.3° | 63.0° |
| H211 | C21 | C22 | H222 | 60.2° | 177.2° |
| H211 | C21 | N20 | C24 | 178.1° | 60.7° |
| H211 | C21 | N20 | C20 | 60.2° | 53.1° |
| H212 | C21 | C22 | O22 | 65.1° | 177.1° |
| H212 | C21 | C22 | H221 | 60.2° | 57.0° |
| H212 | C21 | C22 | H222 | 169.7° | 62.8° |
| H212 | C21 | N20 | C24 | 68.6° | 179.3° |
| H212 | C21 | N20 | C20 | 49.3° | 66.9° |
| O22 | C22 | H221 | H222 | 118.1° | 119.8° |
| C22 | O22 | C23 | C24 | 63.9° | 63.1° |
| C22 | O22 | C23 | H231 | 170.8° | 176.8° |
| C22 | O22 | C23 | H232 | 61.4° | 56.9° |
| H221 | C22 | O22 | C23 | 171.3° | 176.8° |
| H222 | C22 | O22 | C23 | 61.8° | 57.0° |
| O22 | C23 | C24 | H231 | 125.3° | 120.1° |
| O22 | C23 | C24 | H232 | 125.3° | 120.0° |
| O22 | C23 | H231 | H232 | 118.3° | 119.9° |
| O22 | C23 | C24 | N20 | 61.1° | 62.8° |
| O22 | C23 | C24 | H241 | 64.2° | 177.1° |
| O22 | C23 | C24 | H242 | 173.6° | 57.2° |
| C24 | C23 | H231 | H232 | 118.2° | 119.9° |
| C23 | C24 | N20 | H241 | 125.3° | 120.1° |
| C23 | C24 | N20 | H242 | 125.3° | 120.0° |
| C23 | C24 | H241 | H242 | 118.0° | 119.9° |
| C23 | C24 | N20 | C20 | 175.2° | 173.1° |
| H231 | C23 | C24 | N20 | 173.6° | 177.1° |
| H231 | C23 | C24 | H241 | 61.1° | 57.0° |
| H231 | C23 | C24 | H242 | 48.4° | 62.9° |
| H232 | C23 | C24 | N20 | 64.2° | 57.2° |
| H232 | C23 | C24 | H241 | 170.5° | 62.9° |
| H232 | C23 | C24 | H242 | 61.0° | 177.2° |
| N20 | C24 | H241 | H242 | 118.0° | 120.0° |
| C24 | N20 | C20 | C19 | 110.6° | 62.6° |
| C24 | N20 | C20 | H201 | 124.1° | 57.4° |
| C24 | N20 | C20 | H202 | 14.6° | 177.4° |
| H241 | C24 | N20 | C20 | 49.9° | 66.9° |
| H242 | C24 | N20 | C20 | 59.5° | 53.1° |
| N20 | C20 | C19 | H201 | 125.3° | 120.0° |
| N20 | C20 | C19 | H202 | 125.2° | 120.0° |
| N20 | C20 | H201 | H202 | 116.5° | 120.0° |
| N20 | C20 | C19 | C30 | 121.1° | 64.8° |
| N20 | C20 | C19 | N18 | 4.6° | 175.2° |
| N20 | C20 | C19 | H19 | 119.0° | 55.2° |
| C19 | C20 | H201 | H202 | 116.4° | 120.0° |
| C20 | C19 | C30 | N18 | 129.2° | 120.0° |
| C20 | C19 | C30 | H19 | 115.6° | 120.0° |
| C20 | C19 | N18 | H19 | 114.7° | 120.0° |
| C20 | C19 | C30 | N19 | 153.0° | 175.0° |
| C20 | C19 | C30 | H301 | 27.7° | 65.0° |
| C20 | C19 | C30 | H302 | 81.8° | 55.0° |
| C20 | C19 | N18 | C13 | 57.7° | 80.6° |
| C20 | C19 | N18 | H18 | 122.3° | 99.4° |
| H201 | C20 | C19 | C30 | 113.6° | 175.2° |
| H201 | C20 | C19 | N18 | 120.7° | 55.2° |
| H201 | C20 | C19 | H19 | 6.3° | 64.8° |
| H202 | C20 | C19 | C30 | 4.2° | 55.2° |
| H202 | C20 | C19 | N18 | 129.9° | 64.8° |
| H202 | C20 | C19 | H19 | 115.7° | 175.2° |
| C30 | C19 | N18 | H19 | 119.8° | 120.0° |
| C19 | C30 | N19 | H301 | 125.3° | 120.1° |
| C19 | C30 | N19 | H302 | 125.3° | 120.0° |
| C19 | C30 | H301 | H302 | 117.6° | 120.0° |
| C19 | C30 | N19 | C25 | 66.4° | 170.0° |
| C19 | C30 | N19 | C28 | 173.1° | 56.3° |
| C30 | C19 | N18 | C13 | 67.8° | 159.4° |
| C30 | C19 | N18 | H18 | 112.1° | 20.6° |
| N18 | C19 | C30 | N19 | 77.8° | 55.0° |
| N18 | C19 | C30 | H301 | 156.9° | 175.0° |
| N18 | C19 | C30 | H302 | 47.4° | 65.0° |
| C19 | N18 | C13 | H18 | 180.0° | 180.0° |
| C19 | N18 | C13 | O17 | 0.6° | 5.2° |
| C19 | N18 | C13 | C11 | 178.1° | 174.9° |
| H19 | C19 | C30 | N19 | 37.4° | 65.0° |
| H19 | C19 | C30 | H301 | 87.9° | 55.0° |
| H19 | C19 | C30 | H302 | 162.7° | 175.0° |
| H19 | C19 | N18 | C13 | 172.4° | 39.5° |
| H19 | C19 | N18 | H18 | 7.7° | 140.6° |
| N19 | C30 | H301 | H302 | 117.5° | 119.9° |
| C30 | N19 | C25 | C28 | 119.6° | 113.7° |
| C30 | N19 | C25 | C26 | 175.9° | 173.0° |
| C30 | N19 | C25 | H251 | 58.8° | 53.0° |
| C30 | N19 | C25 | H252 | 50.7° | 67.0° |
| C30 | N19 | C28 | C27 | 175.3° | 173.0° |
| C30 | N19 | C28 | H281 | 50.0° | 66.9° |
| C30 | N19 | C28 | H282 | 59.4° | 53.0° |
| H301 | C30 | N19 | C25 | 58.9° | 49.9° |
| H301 | C30 | N19 | C28 | 61.5° | 63.8° |
| H302 | C30 | N19 | C25 | 168.3° | 70.0° |
| H302 | C30 | N19 | C28 | 47.9° | 176.3° |
| N19 | C25 | C26 | H251 | 125.3° | 120.0° |
| N19 | C25 | C26 | H252 | 125.2° | 120.0° |
| N19 | C25 | H251 | H252 | 117.8° | 119.9° |
| N19 | C25 | C26 | O23 | 60.0° | 62.9° |
| N19 | C25 | C26 | H261 | 65.2° | 177.0° |
| N19 | C25 | C26 | H262 | 174.8° | 57.1° |
| C25 | N19 | C28 | C27 | 54.9° | 59.3° |
| C25 | N19 | C28 | H281 | 70.4° | 179.3° |
| C25 | N19 | C28 | H282 | 179.7° | 60.7° |
| C28 | N19 | C25 | C26 | 56.3° | 59.3° |
| C28 | N19 | C25 | H251 | 178.4° | 60.8° |
| C28 | N19 | C25 | H252 | 68.9° | 179.3° |
| N19 | C28 | C27 | O23 | 58.0° | 62.9° |
| N19 | C28 | C27 | H281 | 125.3° | 120.0° |
| N19 | C28 | C27 | H282 | 125.3° | 120.1° |
| N19 | C28 | C27 | H271 | 67.3° | 177.0° |
| N19 | C28 | C27 | H272 | 176.7° | 57.2° |
| N19 | C28 | H281 | H282 | 117.8° | 120.0° |
| C26 | C25 | H251 | H252 | 117.9° | 120.0° |
| C25 | C26 | O23 | H261 | 125.2° | 120.1° |
| C25 | C26 | O23 | H262 | 125.2° | 120.1° |
| C25 | C26 | H261 | H262 | 118.5° | 119.9° |
| C25 | C26 | O23 | C27 | 63.1° | 63.1° |
| H251 | C25 | C26 | O23 | 174.7° | 57.1° |
| H251 | C25 | C26 | H261 | 60.1° | 63.0° |
| H251 | C25 | C26 | H262 | 49.5° | 177.2° |
| H252 | C25 | C26 | O23 | 65.2° | 177.2° |
| H252 | C25 | C26 | H261 | 169.6° | 57.1° |
| H252 | C25 | C26 | H262 | 60.1° | 62.8° |
| O23 | C26 | H261 | H262 | 118.5° | 119.8° |
| C26 | O23 | C27 | C28 | 62.5° | 63.1° |
| C26 | O23 | C27 | H271 | 62.8° | 176.8° |
| C26 | O23 | C27 | H272 | 172.3° | 56.9° |
| H261 | C26 | O23 | C27 | 62.1° | 176.8° |
| H262 | C26 | O23 | C27 | 171.7° | 56.9° |
| O23 | C27 | C28 | H271 | 125.3° | 120.1° |
| O23 | C27 | C28 | H272 | 125.3° | 120.1° |
| O23 | C27 | H271 | H272 | 118.1° | 119.9° |
| O23 | C27 | C28 | H281 | 67.3° | 177.1° |
| O23 | C27 | C28 | H282 | 176.7° | 57.1° |
| C28 | C27 | H271 | H272 | 118.0° | 119.8° |
| C27 | C28 | H281 | H282 | 117.9° | 120.0° |
| H271 | C27 | C28 | H281 | 167.4° | 57.0° |
| H271 | C27 | C28 | H282 | 58.0° | 63.0° |
| H272 | C27 | C28 | H281 | 58.0° | 62.8° |
| H272 | C27 | C28 | H282 | 51.4° | 177.2° |
| N18 | C13 | O17 | C11 | 178.7° | 179.9° |
| N18 | C13 | C11 | C12 | 162.9° | 179.9° |
| N18 | C13 | C11 | C10 | 15.5° | 0.0° |
| H18 | N18 | C13 | O17 | 179.4° | 174.8° |
| H18 | N18 | C13 | C11 | 1.9° | 5.1° |
| O17 | C13 | C11 | C12 | 15.9° | 0.0° |
| O17 | C13 | C11 | C10 | 165.7° | 180.0° |
| C13 | C11 | C12 | C10 | 178.4° | 180.0° |
| C13 | C11 | C12 | C7 | 179.6° | 180.0° |
| C13 | C11 | C12 | H12 | 0.4° | 0.0° |
| C13 | C11 | C10 | C9 | 178.9° | 180.0° |
| C13 | C11 | C10 | H10 | 1.1° | 0.0° |
| C11 | C12 | C7 | H12 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.6° | 0.0° |
| C12 | C11 | C10 | H10 | 179.4° | 180.0° |
| C11 | C12 | C7 | C8 | 1.1° | 0.2° |
| C11 | C12 | C7 | O1 | 179.2° | 180.0° |
| C10 | C11 | C12 | C7 | 1.2° | 0.0° |
| C10 | C11 | C12 | H12 | 178.8° | 180.0° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C11 | C10 | C9 | N14 | 179.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.1° | 0.3° |
| C12 | C7 | C8 | C9 | 0.4° | 0.5° |
| C12 | C7 | C8 | O1 | 178.1° | 179.8° |
| C12 | C7 | C8 | H8 | 179.6° | 180.0° |
| C12 | C7 | O1 | C1 | 91.9° | 5.2° |
| H12 | C12 | C7 | C8 | 178.9° | 179.8° |
| H12 | C12 | C7 | O1 | 0.8° | 0.0° |
| C10 | C9 | N14 | C8 | 178.9° | 179.7° |
| C10 | C9 | N14 | O15 | 2.5° | 0.1° |
| C10 | C9 | N14 | O16 | 176.5° | 180.0° |
| C10 | C9 | C8 | C7 | 0.2° | 0.5° |
| C10 | C9 | C8 | H8 | 179.8° | 180.0° |
| H10 | C10 | C9 | N14 | 1.0° | 0.1° |
| H10 | C10 | C9 | C8 | 179.9° | 179.8° |
| C9 | N14 | O15 | O16 | 179.0° | 180.0° |
| N14 | C9 | C8 | C7 | 179.1° | 179.8° |
| N14 | C9 | C8 | H8 | 0.9° | 0.2° |
| C8 | C9 | N14 | O15 | 178.6° | 179.8° |
| C8 | C9 | N14 | O16 | 2.4° | 0.3° |
| C9 | C8 | C7 | H8 | 180.0° | 179.5° |
| C9 | C8 | C7 | O1 | 178.5° | 179.7° |
| C8 | C7 | O1 | C1 | 90.1° | 175.0° |
| H8 | C8 | C7 | O1 | 1.5° | 0.2° |
| C7 | O1 | C1 | O5 | 64.4° | 66.2° |
| C7 | O1 | C1 | C2 | 173.7° | 173.5° |
| C7 | O1 | C1 | H1 | 54.5° | 53.7° |
| O1 | C1 | O5 | C2 | 118.6° | 120.0° |
| O1 | C1 | O5 | H1 | 122.1° | 119.9° |
| O1 | C1 | C2 | H1 | 122.1° | 119.8° |
| O1 | C1 | O5 | C5 | 62.9° | 52.4° |
| O1 | C1 | C2 | C3 | 63.5° | 58.8° |
| O1 | C1 | C2 | O2 | 55.5° | 61.1° |
| O1 | C1 | C2 | H2 | 176.0° | 178.7° |
| O5 | C1 | C2 | H1 | 118.9° | 120.1° |
| C1 | O5 | C5 | C6 | 179.9° | 172.3° |
| C1 | O5 | C5 | C4 | 54.6° | 67.6° |
| C1 | O5 | C5 | H5 | 60.9° | 52.4° |
| O5 | C1 | C2 | C3 | 55.5° | 61.3° |
| O5 | C1 | C2 | O2 | 174.5° | 178.8° |
| O5 | C1 | C2 | H2 | 64.9° | 58.6° |
| C2 | C1 | O5 | C5 | 55.7° | 67.6° |
| C1 | C2 | C3 | C4 | 53.0° | 53.8° |
| C1 | C2 | C3 | O3 | 174.4° | 173.6° |
| C1 | C2 | C3 | O2 | 120.6° | 119.9° |
| C1 | C2 | C3 | H2 | 118.9° | 119.8° |
| C1 | C2 | C3 | H3 | 66.2° | 66.0° |
| C1 | C2 | O2 | H2 | 118.9° | 120.1° |
| C1 | C2 | O2 | HO2 | 179.9° | 60.0° |
| H1 | C1 | O5 | C5 | 175.0° | 172.3° |
| H1 | C1 | C2 | C3 | 174.4° | 178.6° |
| H1 | C1 | C2 | O2 | 66.6° | 58.7° |
| H1 | C1 | C2 | H2 | 54.0° | 61.5° |
| O5 | C5 | C6 | C4 | 126.7° | 120.2° |
| O5 | C5 | C6 | H5 | 117.5° | 119.8° |
| O5 | C5 | C4 | H5 | 117.0° | 120.0° |
| O5 | C5 | C6 | O6 | 59.2° | 64.8° |
| O5 | C5 | C6 | H61 | 175.6° | 55.2° |
| O5 | C5 | C6 | H62 | 66.1° | 175.1° |
| O5 | C5 | C4 | O4 | 69.6° | 58.6° |
| O5 | C5 | C4 | C3 | 52.3° | 61.4° |
| O5 | C5 | C4 | H4 | 171.8° | 178.8° |
| C6 | C5 | C4 | H5 | 119.0° | 119.9° |
| C5 | C6 | O6 | H61 | 125.2° | 120.0° |
| C5 | C6 | O6 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 118.4° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C6 | C5 | C4 | O4 | 54.5° | 61.4° |
| C6 | C5 | C4 | C3 | 176.4° | 178.5° |
| C6 | C5 | C4 | H4 | 64.2° | 58.8° |
| C4 | C5 | C6 | O6 | 174.1° | 174.9° |
| C4 | C5 | C6 | H61 | 48.8° | 65.1° |
| C4 | C5 | C6 | H62 | 60.6° | 54.9° |
| C5 | C4 | O4 | C3 | 122.7° | 119.7° |
| C5 | C4 | O4 | H4 | 117.8° | 120.2° |
| C5 | C4 | C3 | H4 | 117.9° | 119.7° |
| C5 | C4 | O4 | HO4 | 180.0° | 179.7° |
| C5 | C4 | C3 | O3 | 173.1° | 173.6° |
| C5 | C4 | C3 | C2 | 51.4° | 53.9° |
| C5 | C4 | C3 | H3 | 67.5° | 65.9° |
| H5 | C5 | C6 | O6 | 58.4° | 55.0° |
| H5 | C5 | C6 | H61 | 66.9° | 175.0° |
| H5 | C5 | C6 | H62 | 176.3° | 65.0° |
| H5 | C5 | C4 | O4 | 173.4° | 178.7° |
| H5 | C5 | C4 | C3 | 64.7° | 58.6° |
| H5 | C5 | C4 | H4 | 54.8° | 61.1° |
| O6 | C6 | H61 | H62 | 118.5° | 120.0° |
| H61 | C6 | O6 | HO6 | 54.7° | 60.0° |
| H62 | C6 | O6 | HO6 | 54.8° | 59.9° |
| O4 | C4 | C3 | H4 | 118.8° | 120.2° |
| O4 | C4 | C3 | O3 | 49.7° | 53.5° |
| O4 | C4 | C3 | C2 | 72.0° | 66.2° |
| O4 | C4 | C3 | H3 | 169.2° | 174.0° |
| C3 | C4 | O4 | HO4 | 57.2° | 60.0° |
| C4 | C3 | O3 | C2 | 121.9° | 119.1° |
| C4 | C3 | O3 | H3 | 119.3° | 120.5° |
| C4 | C3 | C2 | H3 | 119.2° | 119.8° |
| C4 | C3 | O3 | HO3 | 180.0° | 179.2° |
| C4 | C3 | C2 | O2 | 173.6° | 173.7° |
| C4 | C3 | C2 | H2 | 65.9° | 66.0° |
| H4 | C4 | O4 | HO4 | 62.2° | 60.2° |
| H4 | C4 | C3 | O3 | 69.0° | 66.7° |
| H4 | C4 | C3 | C2 | 169.3° | 173.6° |
| H4 | C4 | C3 | H3 | 50.4° | 53.8° |
| O3 | C3 | C2 | H3 | 119.4° | 120.4° |
| O3 | C3 | C2 | O2 | 65.0° | 66.5° |
| O3 | C3 | C2 | H2 | 55.5° | 53.8° |
| C2 | C3 | O3 | HO3 | 58.1° | 60.1° |
| C3 | C2 | O2 | H2 | 120.4° | 120.3° |
| C3 | C2 | O2 | HO2 | 59.4° | 179.5° |
| H3 | C3 | O3 | HO3 | 60.8° | 60.3° |
| H3 | C3 | C2 | O2 | 54.4° | 53.9° |
| H3 | C3 | C2 | H2 | 174.9° | 174.1° |
| H2 | C2 | O2 | HO2 | 61.1° | 60.2° |
