ME3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C24 | doub | 1.24Å | 1.24Å | |
| C24 | O4 | sing | 1.35Å | 1.35Å | |
| C24 | C6 | sing | 1.47Å | 1.47Å | |
| O4 | C25 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | sing | 1.54Å | 1.54Å | |
| C25 | H251 | sing | 1.10Å | 1.10Å | |
| C25 | H252 | sing | 1.10Å | 1.10Å | |
| C26 | H261 | sing | 1.10Å | 1.10Å | |
| C26 | H262 | sing | 1.10Å | 1.10Å | |
| C26 | H263 | sing | 1.10Å | 1.10Å | |
| C6 | C7 | sing | 1.39Å | 1.39Å | |
| C6 | C5 | sing | 1.44Å | 1.44Å | |
| C6 | RU1 | sing | 2.21Å | 2.21Å | |
| C7 | C8 | sing | 1.41Å | 1.41Å | |
| C7 | RU1 | sing | 2.18Å | 2.18Å | |
| C7 | H7 | sing | 1.10Å | 1.10Å | |
| C8 | C9 | sing | 1.42Å | 1.42Å | |
| C8 | RU1 | sing | 2.20Å | 2.20Å | |
| C8 | H8C1 | sing | 1.10Å | 1.10Å | |
| C9 | C5 | sing | 1.42Å | 1.42Å | |
| C9 | RU1 | sing | 2.25Å | 2.25Å | |
| C9 | H9C1 | sing | 1.10Å | 1.10Å | |
| C5 | RU1 | sing | 2.26Å | 2.26Å | |
| C5 | H5C1 | sing | 1.10Å | 1.10Å | |
| RU1 | C4 | sing | 1.85Å | 1.85Å | |
| RU1 | N1 | sing | 2.11Å | 2.11Å | |
| RU1 | N3 | sing | 2.11Å | 2.11Å | |
| C4 | O3 | trip | 1.11Å | 1.11Å | |
| C4 | H4C1 | sing | 1.08Å | 1.08Å | |
| N1 | C10 | sing | 1.32Å | 1.32Å | Aromatic |
| N1 | C11 | sing | 1.36Å | 1.36Å | Aromatic |
| C10 | C3 | sing | 1.42Å | 1.42Å | Aromatic |
| C10 | C17 | doub | 1.42Å | 1.42Å | Aromatic |
| C3 | N3 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C22 | doub | 1.41Å | 1.41Å | Aromatic |
| N3 | C2 | doub | 1.36Å | 1.36Å | Aromatic |
| C22 | C23 | sing | 1.44Å | 1.44Å | Aromatic |
| C22 | C21 | sing | 1.46Å | 1.46Å | Aromatic |
| C23 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C1 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | HA | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | C20 | sing | 1.46Å | 1.46Å | |
| C21 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | O2 | doub | 1.20Å | 1.20Å | |
| C20 | N2 | sing | 1.39Å | 1.39Å | |
| N2 | C19 | sing | 1.39Å | 1.39Å | |
| N2 | HB | sing | 1.00Å | 1.00Å | |
| C19 | O1 | doub | 1.22Å | 1.22Å | |
| C19 | C18 | sing | 1.50Å | 1.50Å | |
| C18 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| C16 | C11 | sing | 1.43Å | 1.43Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.41Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | O6 | sing | 1.37Å | 1.37Å | |
| C14 | C15 | sing | 1.37Å | 1.37Å | Aromatic |
| O6 | H6 | sing | 0.95Å | 0.95Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C24 | O4 | 121.5° | 121.5° |
| O5 | C24 | C6 | 118.5° | 118.5° |
| O4 | C24 | C6 | 119.9° | 119.9° |
| C24 | O4 | C25 | 112.1° | 112.1° |
| C24 | C6 | C7 | 116.3° | 116.3° |
| C24 | C6 | C5 | 134.6° | 134.6° |
| C24 | C6 | RU1 | 122.3° | 122.3° |
| O4 | C25 | C26 | 109.8° | 109.8° |
| O4 | C25 | H251 | 109.4° | 109.3° |
| O4 | C25 | H252 | 109.4° | 109.4° |
| C26 | C25 | H251 | 109.4° | 109.4° |
| C26 | C25 | H252 | 109.4° | 109.4° |
| C25 | C26 | H261 | 109.5° | 109.5° |
| C25 | C26 | H262 | 109.5° | 109.5° |
| C25 | C26 | H263 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.4° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| C7 | C6 | C5 | 109.1° | 109.1° |
| C7 | C6 | RU1 | 70.6° | 70.6° |
| C6 | C7 | C8 | 109.1° | 109.1° |
| C6 | C7 | RU1 | 72.6° | 72.6° |
| C6 | C7 | H7 | 125.1° | 125.1° |
| C5 | C6 | RU1 | 73.0° | 73.0° |
| C6 | C5 | C9 | 105.1° | 105.1° |
| C6 | C5 | RU1 | 69.2° | 69.2° |
| C6 | C5 | H5C1 | 126.2° | 126.2° |
| C6 | RU1 | C7 | 36.8° | 36.8° |
| C6 | RU1 | C8 | 62.2° | 62.2° |
| C6 | RU1 | C9 | 61.3° | 61.3° |
| C6 | RU1 | C5 | 37.8° | 37.8° |
| C6 | RU1 | C4 | 106.3° | 106.3° |
| C6 | RU1 | N1 | 158.1° | 158.1° |
| C6 | RU1 | N3 | 110.2° | 110.2° |
| C8 | C7 | RU1 | 71.9° | 71.9° |
| C8 | C7 | H7 | 124.5° | 124.5° |
| C7 | C8 | C9 | 106.9° | 106.9° |
| C7 | C8 | RU1 | 70.7° | 70.7° |
| C7 | C8 | H8C1 | 126.2° | 126.2° |
| RU1 | C7 | H7 | 111.4° | 111.4° |
| C7 | RU1 | C8 | 37.5° | 37.5° |
| C7 | RU1 | C9 | 61.6° | 61.6° |
| C7 | RU1 | C5 | 62.6° | 62.6° |
| C7 | RU1 | C4 | 91.1° | 91.1° |
| C7 | RU1 | N1 | 132.0° | 132.0° |
| C7 | RU1 | N3 | 146.4° | 146.4° |
| C9 | C8 | RU1 | 73.4° | 73.4° |
| C9 | C8 | H8C1 | 125.9° | 125.9° |
| C8 | C9 | C5 | 109.8° | 109.8° |
| C8 | C9 | RU1 | 69.4° | 69.4° |
| C8 | C9 | H9C1 | 123.8° | 123.8° |
| RU1 | C8 | H8C1 | 112.2° | 112.2° |
| C8 | RU1 | C9 | 37.2° | 37.2° |
| C8 | RU1 | C5 | 62.8° | 62.8° |
| C8 | RU1 | C4 | 111.9° | 111.9° |
| C8 | RU1 | N1 | 99.0° | 99.0° |
| C8 | RU1 | N3 | 152.3° | 152.3° |
| C5 | C9 | RU1 | 72.0° | 72.0° |
| C5 | C9 | H9C1 | 123.8° | 123.8° |
| C9 | C5 | RU1 | 71.4° | 71.4° |
| C9 | C5 | H5C1 | 127.0° | 127.0° |
| RU1 | C9 | H9C1 | 110.6° | 110.6° |
| C9 | RU1 | C5 | 36.7° | 36.7° |
| C9 | RU1 | C4 | 148.9° | 148.9° |
| C9 | RU1 | N1 | 97.0° | 97.0° |
| C9 | RU1 | N3 | 115.2° | 115.2° |
| RU1 | C5 | H5C1 | 112.2° | 112.2° |
| C5 | RU1 | C4 | 143.6° | 143.6° |
| C5 | RU1 | N1 | 125.3° | 125.3° |
| C5 | RU1 | N3 | 94.6° | 94.6° |
| C4 | RU1 | N1 | 90.8° | 90.8° |
| C4 | RU1 | N3 | 95.7° | 95.7° |
| RU1 | C4 | O3 | 172.1° | 172.1° |
| RU1 | C4 | H4C1 | 93.9° | 93.9° |
| N1 | RU1 | N3 | 80.9° | 80.9° |
| RU1 | N1 | C10 | 110.5° | 110.5° |
| RU1 | N1 | C11 | 142.4° | 142.4° |
| RU1 | N3 | C3 | 110.0° | 110.0° |
| RU1 | N3 | C2 | 131.5° | 131.5° |
| O3 | C4 | H4C1 | 94.0° | 94.0° |
| C10 | N1 | C11 | 107.1° | 107.1° |
| N1 | C10 | C3 | 121.2° | 121.2° |
| N1 | C10 | C17 | 113.2° | 113.2° |
| N1 | C11 | C16 | 109.3° | 109.3° |
| N1 | C11 | C12 | 129.3° | 129.3° |
| C3 | C10 | C17 | 125.6° | 125.6° |
| C10 | C3 | N3 | 117.4° | 117.4° |
| C10 | C3 | C22 | 118.2° | 118.2° |
| C10 | C17 | C18 | 115.9° | 115.9° |
| C10 | C17 | C16 | 103.6° | 103.6° |
| N3 | C3 | C22 | 124.4° | 124.4° |
| C3 | N3 | C2 | 118.5° | 118.5° |
| C3 | C22 | C23 | 115.7° | 115.7° |
| C3 | C22 | C21 | 116.1° | 116.1° |
| N3 | C2 | C1 | 120.7° | 120.7° |
| N3 | C2 | H2 | 119.7° | 119.7° |
| C23 | C22 | C21 | 128.2° | 128.2° |
| C22 | C23 | C1 | 119.9° | 119.9° |
| C22 | C23 | H23 | 120.0° | 120.0° |
| C22 | C21 | C20 | 129.1° | 129.1° |
| C22 | C21 | C18 | 124.2° | 124.2° |
| C1 | C23 | H23 | 120.1° | 120.1° |
| C23 | C1 | C2 | 120.9° | 120.9° |
| C23 | C1 | HA | 119.6° | 119.6° |
| C2 | C1 | HA | 119.5° | 119.5° |
| C1 | C2 | H2 | 119.7° | 119.7° |
| C20 | C21 | C18 | 106.7° | 106.7° |
| C21 | C20 | O2 | 127.7° | 127.7° |
| C21 | C20 | N2 | 107.7° | 107.7° |
| C21 | C18 | C19 | 109.3° | 109.3° |
| C21 | C18 | C17 | 120.0° | 120.0° |
| O2 | C20 | N2 | 124.6° | 124.6° |
| C20 | N2 | C19 | 111.9° | 111.9° |
| C20 | N2 | HB | 124.0° | 124.0° |
| C19 | N2 | HB | 124.1° | 124.1° |
| N2 | C19 | O1 | 127.3° | 127.3° |
| N2 | C19 | C18 | 104.3° | 104.3° |
| O1 | C19 | C18 | 128.4° | 128.4° |
| C19 | C18 | C17 | 130.7° | 130.7° |
| C18 | C17 | C16 | 140.5° | 140.5° |
| C17 | C16 | C11 | 106.8° | 106.8° |
| C17 | C16 | C15 | 133.1° | 133.1° |
| C11 | C16 | C15 | 120.1° | 120.1° |
| C16 | C11 | C12 | 121.3° | 121.3° |
| C16 | C15 | C14 | 118.4° | 118.4° |
| C16 | C15 | H15 | 120.8° | 120.8° |
| C11 | C12 | C13 | 117.5° | 117.5° |
| C11 | C12 | H12 | 121.2° | 121.2° |
| C13 | C12 | H12 | 121.2° | 121.2° |
| C12 | C13 | C14 | 120.6° | 120.6° |
| C12 | C13 | H13 | 119.7° | 119.7° |
| C14 | C13 | H13 | 119.7° | 119.7° |
| C13 | C14 | O6 | 119.6° | 119.6° |
| C13 | C14 | C15 | 122.0° | 122.0° |
| O6 | C14 | C15 | 118.4° | 118.4° |
| C14 | O6 | H6 | 109.5° | 109.5° |
| C14 | C15 | H15 | 120.8° | 120.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C24 | O4 | C6 | 177.6° | 177.6° |
| O5 | C24 | O4 | C25 | 23.5° | 23.5° |
| O5 | C24 | C6 | C7 | 6.8° | 6.8° |
| O5 | C24 | C6 | C5 | 172.4° | 172.4° |
| O5 | C24 | C6 | RU1 | 89.6° | 89.6° |
| C24 | O4 | C25 | C26 | 174.2° | 174.2° |
| C24 | O4 | C25 | H251 | 65.7° | 65.7° |
| C24 | O4 | C25 | H252 | 54.1° | 54.1° |
| O4 | C24 | C6 | C7 | 170.8° | 170.8° |
| O4 | C24 | C6 | C5 | 9.9° | 9.9° |
| O4 | C24 | C6 | RU1 | 88.0° | 88.0° |
| C6 | C24 | O4 | C25 | 154.0° | 154.0° |
| C24 | C6 | C7 | C5 | 179.4° | 179.4° |
| C24 | C6 | C7 | RU1 | 117.3° | 117.3° |
| C24 | C6 | C5 | RU1 | 118.9° | 118.9° |
| C24 | C6 | C7 | C8 | 179.7° | 179.7° |
| C24 | C6 | C7 | H7 | 12.9° | 12.9° |
| C24 | C6 | RU1 | C8 | 147.0° | 147.0° |
| C24 | C6 | C5 | C9 | 178.2° | 178.2° |
| C24 | C6 | RU1 | C9 | 170.6° | 170.6° |
| C24 | C6 | C5 | H5C1 | 16.0° | 16.0° |
| C24 | C6 | RU1 | C4 | 40.4° | 40.4° |
| C24 | C6 | RU1 | N1 | 179.7° | 179.7° |
| C24 | C6 | RU1 | N3 | 62.2° | 62.2° |
| O4 | C25 | C26 | H251 | 120.1° | 120.0° |
| O4 | C25 | C26 | H252 | 120.1° | 120.1° |
| O4 | C25 | H251 | H252 | 119.8° | 119.8° |
| O4 | C25 | C26 | H261 | 180.0° | 180.0° |
| O4 | C25 | C26 | H262 | 60.0° | 60.0° |
| O4 | C25 | C26 | H263 | 60.0° | 60.0° |
| C26 | C25 | H251 | H252 | 119.8° | 119.9° |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H263 | 120.0° | 120.0° |
| C25 | C26 | H262 | H263 | 120.0° | 120.0° |
| H251 | C25 | C26 | H261 | 59.9° | 60.0° |
| H251 | C25 | C26 | H262 | 179.9° | 179.9° |
| H251 | C25 | C26 | H263 | 60.1° | 60.0° |
| H252 | C25 | C26 | H261 | 59.9° | 59.9° |
| H252 | C25 | C26 | H262 | 60.0° | 60.0° |
| H252 | C25 | C26 | H263 | 179.9° | 179.9° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| C7 | C6 | C5 | RU1 | 61.8° | 61.8° |
| C6 | C7 | C8 | RU1 | 63.4° | 63.4° |
| C6 | C7 | C8 | H7 | 167.4° | 167.4° |
| C6 | C7 | RU1 | H7 | 121.6° | 121.6° |
| C6 | C7 | C8 | C9 | 1.6° | 1.6° |
| C6 | C7 | C8 | H8C1 | 167.3° | 167.3° |
| C7 | C6 | C5 | C9 | 1.1° | 1.1° |
| C6 | C7 | RU1 | C9 | 79.2° | 79.2° |
| C7 | C6 | C5 | H5C1 | 164.7° | 164.7° |
| C7 | C6 | RU1 | C4 | 69.1° | 69.1° |
| C7 | C6 | RU1 | N1 | 70.8° | 70.8° |
| C7 | C6 | RU1 | N3 | 171.7° | 171.7° |
| C5 | C6 | C7 | C8 | 0.3° | 0.3° |
| C5 | C6 | C7 | H7 | 167.6° | 167.6° |
| C6 | C5 | C9 | C8 | 2.1° | 2.1° |
| C6 | C5 | RU1 | C8 | 79.0° | 79.0° |
| C6 | C5 | C9 | RU1 | 61.4° | 61.4° |
| C6 | C5 | C9 | H5C1 | 165.6° | 165.6° |
| C6 | C5 | C9 | H9C1 | 164.5° | 164.5° |
| C6 | C5 | RU1 | H5C1 | 121.8° | 121.8° |
| C5 | C6 | RU1 | C4 | 172.9° | 172.9° |
| C5 | C6 | RU1 | N1 | 47.3° | 47.3° |
| C5 | C6 | RU1 | N3 | 70.3° | 70.3° |
| C6 | RU1 | C9 | C8 | 80.9° | 80.9° |
| C6 | RU1 | C8 | C4 | 97.4° | 97.4° |
| C6 | RU1 | C8 | N1 | 168.0° | 168.0° |
| C6 | RU1 | C8 | N3 | 80.6° | 80.6° |
| C6 | RU1 | C8 | H8C1 | 159.1° | 159.1° |
| C6 | RU1 | C9 | C4 | 73.2° | 73.2° |
| C6 | RU1 | C9 | N1 | 176.6° | 176.6° |
| C6 | RU1 | C9 | N3 | 100.3° | 100.3° |
| C6 | RU1 | C9 | H9C1 | 159.5° | 159.5° |
| C6 | RU1 | C4 | N1 | 166.1° | 166.1° |
| C6 | RU1 | C4 | N3 | 113.0° | 113.0° |
| C6 | RU1 | N1 | N3 | 122.6° | 122.6° |
| C6 | RU1 | C4 | O3 | 23.8° | 23.8° |
| C6 | RU1 | C4 | H4C1 | 156.2° | 156.2° |
| C6 | RU1 | N1 | C10 | 121.8° | 121.8° |
| C6 | RU1 | N1 | C11 | 58.3° | 58.3° |
| C6 | RU1 | N3 | C3 | 158.8° | 158.8° |
| C6 | RU1 | N3 | C2 | 19.0° | 19.0° |
| C8 | C7 | RU1 | H7 | 120.7° | 120.7° |
| C7 | C8 | C9 | RU1 | 63.2° | 63.2° |
| C7 | C8 | C9 | H8C1 | 169.0° | 169.0° |
| C7 | C8 | RU1 | H8C1 | 122.2° | 122.2° |
| C7 | C8 | C9 | C5 | 2.3° | 2.3° |
| C7 | C8 | C9 | H9C1 | 164.7° | 164.7° |
| C7 | C8 | RU1 | C5 | 79.6° | 79.6° |
| C8 | C7 | RU1 | C4 | 126.1° | 126.1° |
| C8 | C7 | RU1 | N1 | 34.0° | 34.0° |
| C8 | C7 | RU1 | N3 | 131.8° | 131.8° |
| C7 | RU1 | C5 | C9 | 78.4° | 78.4° |
| C7 | RU1 | C9 | C4 | 31.1° | 31.1° |
| C7 | RU1 | C9 | N1 | 134.4° | 134.4° |
| C7 | RU1 | C9 | N3 | 142.4° | 142.4° |
| C7 | RU1 | C9 | H9C1 | 158.4° | 158.4° |
| C7 | RU1 | C5 | C4 | 48.1° | 48.1° |
| C7 | RU1 | C5 | N1 | 123.8° | 123.8° |
| C7 | RU1 | C5 | N3 | 154.2° | 154.2° |
| C7 | RU1 | C5 | H5C1 | 158.4° | 158.4° |
| C7 | RU1 | C4 | N1 | 132.0° | 132.0° |
| C7 | RU1 | C4 | N3 | 147.1° | 147.1° |
| C7 | RU1 | N1 | N3 | 172.1° | 172.1° |
| C7 | RU1 | C4 | O3 | 10.3° | 10.3° |
| C7 | RU1 | C4 | H4C1 | 169.7° | 169.7° |
| C7 | RU1 | N1 | C10 | 171.3° | 171.3° |
| C7 | RU1 | N1 | C11 | 8.8° | 8.8° |
| C7 | RU1 | N3 | C3 | 167.8° | 167.8° |
| C7 | RU1 | N3 | C2 | 10.0° | 10.0° |
| H7 | C7 | C8 | C9 | 169.0° | 169.0° |
| H7 | C7 | C8 | H8C1 | 0.1° | 0.1° |
| H7 | C7 | RU1 | C9 | 159.2° | 159.2° |
| H7 | C7 | RU1 | C5 | 159.1° | 159.1° |
| H7 | C7 | RU1 | C4 | 5.3° | 5.3° |
| H7 | C7 | RU1 | N1 | 86.7° | 86.7° |
| H7 | C7 | RU1 | N3 | 107.4° | 107.4° |
| C9 | C8 | RU1 | H8C1 | 122.6° | 122.6° |
| C8 | C9 | C5 | RU1 | 59.3° | 59.3° |
| C8 | C9 | C5 | H9C1 | 162.4° | 162.4° |
| C8 | C9 | RU1 | H9C1 | 119.6° | 119.6° |
| C8 | C9 | C5 | H5C1 | 163.5° | 163.5° |
| C9 | C8 | RU1 | C4 | 175.7° | 175.7° |
| C9 | C8 | RU1 | N1 | 89.7° | 89.7° |
| C9 | C8 | RU1 | N3 | 2.3° | 2.3° |
| C8 | RU1 | C5 | C4 | 90.5° | 90.5° |
| C8 | RU1 | C5 | N1 | 81.4° | 81.4° |
| C8 | RU1 | C5 | N3 | 163.4° | 163.4° |
| C8 | RU1 | C5 | H5C1 | 159.2° | 159.2° |
| C8 | RU1 | C4 | N1 | 100.0° | 100.0° |
| C8 | RU1 | C4 | N3 | 179.1° | 179.1° |
| C8 | RU1 | N1 | N3 | 152.0° | 152.0° |
| C8 | RU1 | C4 | O3 | 42.3° | 42.3° |
| C8 | RU1 | C4 | H4C1 | 137.7° | 137.7° |
| C8 | RU1 | N1 | C10 | 151.2° | 151.2° |
| C8 | RU1 | N1 | C11 | 29.0° | 29.0° |
| C8 | RU1 | N3 | C3 | 90.3° | 90.3° |
| C8 | RU1 | N3 | C2 | 87.5° | 87.5° |
| H8C1 | C8 | C9 | C5 | 166.7° | 166.7° |
| H8C1 | C8 | C9 | H9C1 | 4.2° | 4.2° |
| H8C1 | C8 | RU1 | C5 | 158.1° | 158.1° |
| H8C1 | C8 | RU1 | C4 | 61.7° | 61.7° |
| H8C1 | C8 | RU1 | N1 | 32.9° | 32.9° |
| H8C1 | C8 | RU1 | N3 | 120.3° | 120.3° |
| C5 | C9 | RU1 | H9C1 | 120.2° | 120.2° |
| C9 | C5 | RU1 | H5C1 | 123.2° | 123.2° |
| C5 | C9 | RU1 | C4 | 112.5° | 112.5° |
| C5 | C9 | RU1 | N1 | 144.2° | 144.2° |
| C5 | C9 | RU1 | N3 | 61.0° | 61.0° |
| C9 | RU1 | C4 | N1 | 105.0° | 105.0° |
| C9 | RU1 | C4 | N3 | 174.1° | 174.1° |
| C9 | RU1 | N1 | N3 | 114.5° | 114.5° |
| C9 | RU1 | C4 | O3 | 37.3° | 37.3° |
| C9 | RU1 | C4 | H4C1 | 142.7° | 142.7° |
| C9 | RU1 | N1 | C10 | 113.7° | 113.7° |
| C9 | RU1 | N1 | C11 | 66.4° | 66.4° |
| C9 | RU1 | N3 | C3 | 91.9° | 91.9° |
| C9 | RU1 | N3 | C2 | 85.9° | 85.9° |
| H9C1 | C9 | C5 | H5C1 | 1.1° | 1.1° |
| H9C1 | C9 | RU1 | C4 | 127.3° | 127.3° |
| H9C1 | C9 | RU1 | N1 | 24.0° | 24.0° |
| H9C1 | C9 | RU1 | N3 | 59.2° | 59.2° |
| C5 | RU1 | C4 | N1 | 173.4° | 173.4° |
| C5 | RU1 | C4 | N3 | 105.7° | 105.7° |
| C5 | RU1 | N1 | N3 | 89.1° | 89.1° |
| C5 | RU1 | C4 | O3 | 31.1° | 31.1° |
| C5 | RU1 | C4 | H4C1 | 148.9° | 148.9° |
| C5 | RU1 | N1 | C10 | 88.3° | 88.3° |
| C5 | RU1 | N1 | C11 | 91.8° | 91.8° |
| C5 | RU1 | N3 | C3 | 123.5° | 123.5° |
| C5 | RU1 | N3 | C2 | 54.3° | 54.3° |
| H5C1 | C5 | RU1 | C4 | 110.3° | 110.3° |
| H5C1 | C5 | RU1 | N1 | 77.8° | 77.8° |
| H5C1 | C5 | RU1 | N3 | 4.2° | 4.2° |
| C4 | RU1 | N1 | N3 | 95.7° | 95.7° |
| RU1 | C4 | O3 | H4C1 | 180.0° | 180.0° |
| C4 | RU1 | N1 | C10 | 96.5° | 96.5° |
| C4 | RU1 | N1 | C11 | 83.4° | 83.4° |
| C4 | RU1 | N3 | C3 | 91.5° | 91.5° |
| C4 | RU1 | N3 | C2 | 90.7° | 90.7° |
| N1 | RU1 | C4 | O3 | 142.3° | 142.3° |
| N1 | RU1 | C4 | H4C1 | 37.7° | 37.7° |
| RU1 | N1 | C10 | C11 | 179.9° | 179.9° |
| RU1 | N1 | C10 | C3 | 0.2° | 0.2° |
| RU1 | N1 | C10 | C17 | 178.9° | 178.9° |
| N1 | RU1 | N3 | C3 | 1.6° | 1.6° |
| N1 | RU1 | N3 | C2 | 179.4° | 179.4° |
| RU1 | N1 | C11 | C16 | 179.0° | 179.0° |
| RU1 | N1 | C11 | C12 | 0.4° | 0.4° |
| N3 | RU1 | C4 | O3 | 136.8° | 136.8° |
| N3 | RU1 | C4 | H4C1 | 43.2° | 43.2° |
| N3 | RU1 | N1 | C10 | 0.8° | 0.8° |
| N3 | RU1 | N1 | C11 | 179.1° | 179.1° |
| RU1 | N3 | C3 | C10 | 2.2° | 2.2° |
| RU1 | N3 | C3 | C2 | 178.1° | 178.1° |
| RU1 | N3 | C3 | C22 | 179.1° | 179.1° |
| RU1 | N3 | C2 | C1 | 178.3° | 178.3° |
| RU1 | N3 | C2 | H2 | 1.7° | 1.7° |
| N1 | C10 | C3 | C17 | 178.6° | 178.6° |
| N1 | C10 | C3 | N3 | 1.7° | 1.7° |
| N1 | C10 | C3 | C22 | 179.5° | 179.5° |
| N1 | C10 | C17 | C18 | 178.5° | 178.5° |
| N1 | C10 | C17 | C16 | 0.7° | 0.7° |
| C10 | N1 | C11 | C16 | 1.2° | 1.2° |
| C10 | N1 | C11 | C12 | 179.7° | 179.7° |
| C11 | N1 | C10 | C3 | 179.9° | 179.9° |
| C11 | N1 | C10 | C17 | 1.2° | 1.2° |
| N1 | C11 | C16 | C17 | 0.8° | 0.8° |
| N1 | C11 | C16 | C12 | 178.7° | 178.7° |
| N1 | C11 | C16 | C15 | 179.8° | 179.8° |
| N1 | C11 | C12 | C13 | 179.8° | 179.8° |
| N1 | C11 | C12 | H12 | 0.2° | 0.2° |
| C10 | C3 | N3 | C22 | 178.7° | 178.7° |
| C10 | C3 | N3 | C2 | 179.7° | 179.7° |
| C10 | C3 | C22 | C23 | 179.8° | 179.8° |
| C10 | C3 | C22 | C21 | 0.9° | 0.9° |
| C3 | C10 | C17 | C18 | 0.2° | 0.2° |
| C3 | C10 | C17 | C16 | 179.4° | 179.4° |
| C17 | C10 | C3 | N3 | 179.7° | 179.7° |
| C17 | C10 | C3 | C22 | 0.9° | 0.9° |
| C10 | C17 | C18 | C21 | 1.2° | 1.2° |
| C10 | C17 | C18 | C19 | 179.4° | 179.4° |
| C10 | C17 | C18 | C16 | 178.8° | 178.8° |
| C10 | C17 | C16 | C11 | 0.1° | 0.1° |
| C10 | C17 | C16 | C15 | 179.4° | 179.4° |
| N3 | C3 | C22 | C23 | 1.1° | 1.1° |
| N3 | C3 | C22 | C21 | 179.6° | 179.6° |
| C3 | N3 | C2 | C1 | 0.6° | 0.6° |
| C3 | N3 | C2 | H2 | 179.3° | 179.3° |
| C22 | C3 | N3 | C2 | 1.0° | 1.0° |
| C3 | C22 | C23 | C21 | 179.2° | 179.2° |
| C3 | C22 | C23 | C1 | 0.9° | 0.9° |
| C3 | C22 | C23 | H23 | 179.1° | 179.1° |
| C3 | C22 | C21 | C20 | 178.9° | 178.9° |
| C3 | C22 | C21 | C18 | 0.1° | 0.1° |
| N3 | C2 | C1 | C23 | 0.5° | 0.5° |
| N3 | C2 | C1 | H2 | 180.0° | 180.0° |
| N3 | C2 | C1 | HA | 179.5° | 179.5° |
| C22 | C23 | C1 | H23 | 180.0° | 180.0° |
| C22 | C23 | C1 | C2 | 0.7° | 0.7° |
| C22 | C23 | C1 | HA | 179.3° | 179.3° |
| C23 | C22 | C21 | C20 | 0.3° | 0.3° |
| C23 | C22 | C21 | C18 | 179.1° | 179.1° |
| C21 | C22 | C23 | C1 | 179.9° | 179.9° |
| C21 | C22 | C23 | H23 | 0.1° | 0.1° |
| C22 | C21 | C20 | C18 | 178.9° | 178.9° |
| C22 | C21 | C20 | O2 | 0.1° | 0.1° |
| C22 | C21 | C20 | N2 | 179.1° | 179.1° |
| C22 | C21 | C18 | C19 | 179.2° | 179.2° |
| C22 | C21 | C18 | C17 | 1.3° | 1.3° |
| C23 | C1 | C2 | HA | 180.0° | 180.0° |
| C23 | C1 | C2 | H2 | 179.4° | 179.4° |
| H23 | C23 | C1 | C2 | 179.3° | 179.3° |
| H23 | C23 | C1 | HA | 0.7° | 0.7° |
| HA | C1 | C2 | H2 | 0.6° | 0.6° |
| C21 | C20 | O2 | N2 | 178.9° | 178.9° |
| C21 | C20 | N2 | C19 | 0.0° | 0.0° |
| C21 | C20 | N2 | HB | 180.0° | 180.0° |
| C20 | C21 | C18 | C19 | 0.2° | 0.2° |
| C20 | C21 | C18 | C17 | 179.7° | 179.7° |
| C18 | C21 | C20 | O2 | 178.9° | 178.9° |
| C18 | C21 | C20 | N2 | 0.2° | 0.2° |
| C21 | C18 | C19 | N2 | 0.2° | 0.2° |
| C21 | C18 | C19 | O1 | 179.6° | 179.6° |
| C21 | C18 | C19 | C17 | 179.4° | 179.4° |
| C21 | C18 | C17 | C16 | 180.0° | 180.0° |
| O2 | C20 | N2 | C19 | 179.0° | 179.0° |
| O2 | C20 | N2 | HB | 0.9° | 0.9° |
| C20 | N2 | C19 | HB | 180.0° | 180.0° |
| C20 | N2 | C19 | O1 | 179.5° | 179.5° |
| C20 | N2 | C19 | C18 | 0.1° | 0.1° |
| N2 | C19 | O1 | C18 | 179.2° | 179.2° |
| N2 | C19 | C18 | C17 | 179.6° | 179.6° |
| HB | N2 | C19 | O1 | 0.5° | 0.5° |
| HB | N2 | C19 | C18 | 179.9° | 179.9° |
| O1 | C19 | C18 | C17 | 1.0° | 1.0° |
| C19 | C18 | C17 | C16 | 0.6° | 0.6° |
| C18 | C17 | C16 | C11 | 178.9° | 178.9° |
| C18 | C17 | C16 | C15 | 1.7° | 1.7° |
| C17 | C16 | C11 | C15 | 179.5° | 179.5° |
| C17 | C16 | C11 | C12 | 179.4° | 179.4° |
| C17 | C16 | C15 | C14 | 179.5° | 179.5° |
| C17 | C16 | C15 | H15 | 0.6° | 0.5° |
| C16 | C11 | C12 | C13 | 1.8° | 1.8° |
| C16 | C11 | C12 | H12 | 178.2° | 178.2° |
| C11 | C16 | C15 | C14 | 0.2° | 0.2° |
| C11 | C16 | C15 | H15 | 179.9° | 179.8° |
| C15 | C16 | C11 | C12 | 1.1° | 1.1° |
| C16 | C15 | C14 | C13 | 0.0° | 0.0° |
| C16 | C15 | C14 | O6 | 180.0° | 180.0° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.6° | 1.6° |
| C11 | C12 | C13 | H13 | 178.4° | 178.4° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | O6 | 179.2° | 179.2° |
| C12 | C13 | C14 | C15 | 0.7° | 0.7° |
| H12 | C12 | C13 | C14 | 178.4° | 178.4° |
| H12 | C12 | C13 | H13 | 1.6° | 1.6° |
| C13 | C14 | O6 | C15 | 180.0° | 180.0° |
| C13 | C14 | O6 | H6 | 180.0° | 180.0° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| H13 | C13 | C14 | O6 | 0.7° | 0.8° |
| H13 | C13 | C14 | C15 | 179.3° | 179.2° |
| O6 | C14 | C15 | H15 | 0.0° | 0.1° |
| C15 | C14 | O6 | H6 | 0.1° | 0.1° |
