RUX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C3 | sing | 1.36Å | 1.34Å | |
| C3 | N | doub | 1.34Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.42Å | 1.38Å | Aromatic |
| N | C | sing | 1.34Å | 1.34Å | Aromatic |
| C2 | C7 | doub | 1.43Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.42Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.36Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.37Å | 1.36Å | Aromatic |
| C6 | C8 | sing | 1.48Å | 1.46Å | |
| C5 | C4 | sing | 1.38Å | 1.36Å | Aromatic |
| C5 | RU | sing | 2.02Å | 2.10Å | |
| C4 | C1 | doub | 1.44Å | 1.36Å | Aromatic |
| C1 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| N1 | C | doub | 1.34Å | 1.34Å | Aromatic |
| C | C14 | sing | 1.50Å | 1.49Å | |
| C8 | C12 | doub | 1.38Å | 1.35Å | Aromatic |
| C8 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.35Å | Aromatic |
| C11 | C10 | doub | 1.37Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.34Å | Aromatic |
| C9 | N3 | doub | 1.34Å | 1.31Å | Aromatic |
| N3 | RU | sing | 2.34Å | 2.19Å | |
| O11 | C13 | trip | 1.22Å | 1.24Å | |
| C13 | RU | sing | 1.90Å | 1.83Å | |
| RU | C16 | sing | 1.90Å | 2.10Å | |
| O | C15 | doub | 1.24Å | 1.22Å | |
| C15 | C16 | sing | 1.43Å | 1.51Å | |
| C15 | O1 | sing | 1.37Å | 1.46Å | |
| C16 | C17 | sing | 1.39Å | 1.45Å | Aromatic |
| C16 | C18 | sing | 1.40Å | 1.46Å | Aromatic |
| C17 | C20 | doub | 1.37Å | 1.46Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.46Å | Aromatic |
| C19 | C20 | sing | 1.43Å | 1.43Å | Aromatic |
| O1 | C21 | sing | 1.40Å | 1.38Å | |
| C21 | C22 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C27 | sing | 1.43Å | 1.38Å | Aromatic |
| C22 | O2 | sing | 1.37Å | 1.36Å | |
| C22 | C24 | sing | 1.40Å | 1.38Å | Aromatic |
| O2 | C23 | sing | 1.43Å | 1.42Å | |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.40Å | 1.39Å | Aromatic |
| C27 | O3 | sing | 1.38Å | 1.36Å | |
| O3 | C28 | sing | 1.43Å | 1.42Å | |
| N2 | H1 | sing | 0.88Å | 1.00Å | |
| N2 | H2 | sing | 0.87Å | 1.00Å | |
| C7 | H3 | sing | 0.95Å | 1.08Å | |
| C4 | H4 | sing | 0.94Å | 1.08Å | |
| C12 | H5 | sing | 0.94Å | 1.08Å | |
| C11 | H6 | sing | 0.94Å | 1.08Å | |
| C10 | H7 | sing | 0.94Å | 1.08Å | |
| C9 | H8 | sing | 0.94Å | 1.08Å | |
| C14 | H12 | sing | 0.97Å | 1.10Å | |
| C14 | H13 | sing | 0.97Å | 1.10Å | |
| C14 | H14 | sing | 0.97Å | 1.10Å | |
| C17 | H15 | sing | 0.95Å | 1.10Å | |
| C18 | H16 | sing | 0.95Å | 1.10Å | |
| C19 | H17 | sing | 0.95Å | 1.10Å | |
| C20 | H18 | sing | 0.94Å | 1.10Å | |
| C23 | H19 | sing | 0.97Å | 1.10Å | |
| C23 | H20 | sing | 0.97Å | 1.10Å | |
| C23 | H21 | sing | 0.97Å | 1.10Å | |
| C24 | H22 | sing | 0.94Å | 1.08Å | |
| C25 | H23 | sing | 0.94Å | 1.08Å | |
| C26 | H24 | sing | 0.94Å | 1.08Å | |
| C28 | H25 | sing | 0.97Å | 1.10Å | |
| C28 | H26 | sing | 0.97Å | 1.10Å | |
| C28 | H27 | sing | 0.97Å | 1.10Å | |
| C17 | RU | sing | 1.82Å | 2.15Å | |
| C20 | RU | sing | 1.93Å | 2.13Å | |
| C19 | RU | sing | 1.89Å | 2.10Å | |
| C18 | RU | sing | 1.88Å | 2.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C3 | N | 118.5° | 114.7° |
| N2 | C3 | C2 | 121.1° | 125.7° |
| C3 | N2 | H1 | 109.5° | 119.2° |
| C3 | N2 | H2 | 109.5° | 121.3° |
| N | C3 | C2 | 120.4° | 119.6° |
| C3 | N | C | 119.8° | 119.9° |
| C3 | C2 | C7 | 121.0° | 124.6° |
| C3 | C2 | C1 | 117.6° | 117.6° |
| N | C | N1 | 121.5° | 123.9° |
| N | C | C14 | 119.5° | 118.3° |
| C7 | C2 | C1 | 121.4° | 117.7° |
| C2 | C7 | C6 | 116.6° | 120.2° |
| C2 | C7 | H3 | 121.7° | 120.0° |
| C2 | C1 | C4 | 121.3° | 119.0° |
| C2 | C1 | N1 | 120.9° | 120.0° |
| C7 | C6 | C5 | 120.4° | 121.0° |
| C7 | C6 | C8 | 124.0° | 120.8° |
| C6 | C7 | H3 | 121.7° | 119.1° |
| C5 | C6 | C8 | 115.6° | 113.9° |
| C6 | C5 | C4 | 123.7° | 119.0° |
| C6 | C5 | RU | 116.8° | 95.0° |
| C6 | C8 | C12 | 120.7° | 123.2° |
| C6 | C8 | N3 | 116.7° | 112.2° |
| C4 | C5 | RU | 119.3° | 115.3° |
| C5 | C4 | C1 | 116.4° | 119.4° |
| C5 | C4 | H4 | 121.8° | 120.3° |
| C5 | RU | N3 | 76.4° | 85.8° |
| C5 | RU | C13 | 83.5° | 88.7° |
| C5 | RU | C16 | 158.6° | 156.3° |
| C5 | RU | C17 | 120.7° | 113.1° |
| C5 | RU | C20 | 92.7° | 95.8° |
| C5 | RU | C19 | 99.9° | 111.9° |
| C5 | RU | C18 | 136.2° | 152.2° |
| C4 | C1 | N1 | 117.8° | 120.9° |
| C1 | C4 | H4 | 121.8° | 119.8° |
| C1 | N1 | C | 119.8° | 118.9° |
| N1 | C | C14 | 119.0° | 117.8° |
| C | C14 | H12 | 109.5° | 109.6° |
| C | C14 | H13 | 109.5° | 109.5° |
| C | C14 | H14 | 109.5° | 109.4° |
| C12 | C8 | N3 | 122.6° | 121.7° |
| C8 | C12 | C11 | 111.9° | 118.5° |
| C8 | C12 | H5 | 124.1° | 120.1° |
| C8 | N3 | C9 | 126.6° | 117.7° |
| C8 | N3 | RU | 114.5° | 93.6° |
| C12 | C11 | C10 | 124.4° | 119.0° |
| C11 | C12 | H5 | 124.0° | 120.5° |
| C12 | C11 | H6 | 117.8° | 120.4° |
| C11 | C10 | C9 | 121.1° | 118.1° |
| C10 | C11 | H6 | 117.8° | 120.6° |
| C11 | C10 | H7 | 119.5° | 121.0° |
| C10 | C9 | N3 | 113.4° | 123.0° |
| C9 | C10 | H7 | 119.5° | 120.9° |
| C10 | C9 | H8 | 123.3° | 118.8° |
| C9 | N3 | RU | 118.9° | 129.4° |
| N3 | C9 | H8 | 123.3° | 118.1° |
| N3 | RU | C13 | 92.1° | 80.6° |
| N3 | RU | C16 | 108.5° | 90.9° |
| N3 | RU | C17 | 92.6° | 96.9° |
| N3 | RU | C20 | 114.9° | 136.4° |
| N3 | RU | C19 | 154.5° | 162.3° |
| N3 | RU | C18 | 147.2° | 120.1° |
| O11 | C13 | RU | 179.9° | 180.0° |
| C13 | RU | C16 | 116.4° | 114.0° |
| C13 | RU | C17 | 155.7° | 157.9° |
| C13 | RU | C20 | 151.2° | 142.9° |
| C13 | RU | C19 | 112.8° | 100.4° |
| C13 | RU | C18 | 95.3° | 86.3° |
| RU | C16 | C15 | 116.4° | 167.0° |
| RU | C16 | C17 | 72.1° | 64.9° |
| RU | C16 | C18 | 70.8° | 67.4° |
| C16 | RU | C17 | 39.8° | 43.9° |
| C16 | RU | C20 | 66.2° | 70.7° |
| C16 | RU | C19 | 66.4° | 72.4° |
| C16 | RU | C18 | 40.4° | 43.6° |
| O | C15 | C16 | 118.1° | 124.3° |
| O | C15 | O1 | 117.0° | 124.5° |
| C16 | C15 | O1 | 124.8° | 110.2° |
| C15 | C16 | C17 | 127.0° | 102.4° |
| C15 | C16 | C18 | 120.1° | 116.5° |
| C15 | O1 | C21 | 117.3° | 135.7° |
| C17 | C16 | C18 | 112.1° | 108.8° |
| C16 | C17 | C20 | 105.0° | 106.8° |
| C16 | C17 | H15 | 126.5° | 127.9° |
| C16 | C17 | RU | 68.0° | 71.1° |
| C16 | C18 | C19 | 103.8° | 107.2° |
| C16 | C18 | H16 | 127.3° | 126.9° |
| C16 | C18 | RU | 68.8° | 69.0° |
| C17 | C20 | C19 | 108.9° | 108.3° |
| C20 | C17 | H15 | 126.2° | 125.3° |
| C17 | C20 | H18 | 124.1° | 125.5° |
| C20 | C17 | RU | 69.2° | 72.9° |
| C17 | C20 | RU | 70.9° | 64.4° |
| C18 | C19 | C20 | 110.2° | 107.3° |
| C19 | C18 | H16 | 127.2° | 125.9° |
| C18 | C19 | H17 | 123.6° | 125.7° |
| C18 | C19 | RU | 70.5° | 68.4° |
| C19 | C18 | RU | 68.9° | 68.7° |
| C20 | C19 | H17 | 124.4° | 126.9° |
| C19 | C20 | H18 | 124.8° | 125.8° |
| C19 | C20 | RU | 69.2° | 66.4° |
| C20 | C19 | RU | 71.2° | 69.7° |
| O1 | C21 | C22 | 123.0° | 112.9° |
| O1 | C21 | C27 | 118.6° | 126.4° |
| C22 | C21 | C27 | 118.4° | 120.0° |
| C21 | C22 | O2 | 122.6° | 112.7° |
| C21 | C22 | C24 | 121.4° | 119.4° |
| C21 | C27 | C26 | 120.5° | 118.5° |
| C21 | C27 | O3 | 119.4° | 114.7° |
| O2 | C22 | C24 | 116.0° | 127.7° |
| C22 | O2 | C23 | 118.8° | 121.9° |
| C22 | C24 | C25 | 119.7° | 120.1° |
| C22 | C24 | H22 | 120.2° | 120.5° |
| O2 | C23 | H19 | 109.5° | 109.4° |
| O2 | C23 | H20 | 109.4° | 109.3° |
| O2 | C23 | H21 | 109.5° | 109.6° |
| C24 | C25 | C26 | 119.6° | 121.4° |
| C25 | C24 | H22 | 120.2° | 119.4° |
| C24 | C25 | H23 | 120.2° | 119.3° |
| C25 | C26 | C27 | 120.4° | 120.3° |
| C26 | C25 | H23 | 120.2° | 119.3° |
| C25 | C26 | H24 | 119.8° | 119.3° |
| C26 | C27 | O3 | 120.1° | 126.7° |
| C27 | C26 | H24 | 119.8° | 120.4° |
| C27 | O3 | C28 | 119.8° | 122.3° |
| O3 | C28 | H25 | 109.5° | 109.6° |
| O3 | C28 | H26 | 109.5° | 109.3° |
| O3 | C28 | H27 | 109.5° | 109.6° |
| H1 | N2 | H2 | 109.5° | 119.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H12 | C14 | H14 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.3° |
| H15 | C17 | RU | 113.6° | 119.2° |
| H16 | C18 | RU | 114.6° | 127.8° |
| H17 | C19 | RU | 112.7° | 127.2° |
| H18 | C20 | RU | 112.6° | 140.5° |
| H19 | C23 | H20 | 109.5° | 109.4° |
| H19 | C23 | H21 | 109.4° | 109.6° |
| H20 | C23 | H21 | 109.5° | 109.4° |
| H25 | C28 | H26 | 109.5° | 109.4° |
| H25 | C28 | H27 | 109.5° | 109.6° |
| H26 | C28 | H27 | 109.5° | 109.3° |
| C17 | RU | C20 | 39.9° | 42.6° |
| C17 | RU | C19 | 67.2° | 75.4° |
| C17 | RU | C18 | 68.7° | 75.8° |
| C20 | RU | C19 | 39.6° | 43.9° |
| C20 | RU | C18 | 68.0° | 72.7° |
| C19 | RU | C18 | 40.5° | 42.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C3 | N | C2 | 180.0° | 178.3° |
| N2 | C3 | N | C | 179.9° | 179.5° |
| N2 | C3 | C2 | C7 | 0.1° | 0.3° |
| N2 | C3 | C2 | C1 | 179.8° | 179.0° |
| C3 | N2 | H1 | H2 | 120.0° | 179.8° |
| N | C3 | C2 | C7 | 179.9° | 178.4° |
| N | C3 | C2 | C1 | 0.2° | 0.9° |
| C3 | N | C | N1 | 0.0° | 1.0° |
| C3 | N | C | C14 | 180.0° | 179.5° |
| N | C3 | N2 | H1 | 0.0° | 0.5° |
| N | C3 | N2 | H2 | 120.0° | 179.3° |
| C2 | C3 | N | C | 0.1° | 1.2° |
| C3 | C2 | C7 | C1 | 179.8° | 179.3° |
| C3 | C2 | C7 | C6 | 179.9° | 173.3° |
| C3 | C2 | C1 | C4 | 180.0° | 179.5° |
| C3 | C2 | C1 | N1 | 0.4° | 0.5° |
| C2 | C3 | N2 | H1 | 180.0° | 177.6° |
| C2 | C3 | N2 | H2 | 60.0° | 2.6° |
| C3 | C2 | C7 | H3 | 0.1° | 3.1° |
| N | C | N1 | C1 | 0.1° | 0.6° |
| N | C | N1 | C14 | 180.0° | 179.5° |
| N | C | C14 | H12 | 0.0° | 149.8° |
| N | C | C14 | H13 | 120.0° | 29.7° |
| N | C | C14 | H14 | 120.0° | 90.1° |
| C2 | C7 | C6 | H3 | 180.0° | 170.3° |
| C2 | C7 | C6 | C5 | 1.4° | 18.9° |
| C2 | C7 | C6 | C8 | 179.7° | 174.1° |
| C7 | C2 | C1 | C4 | 0.2° | 1.2° |
| C7 | C2 | C1 | N1 | 179.8° | 178.9° |
| C1 | C2 | C7 | C6 | 0.1° | 7.5° |
| C2 | C1 | C4 | C5 | 1.6° | 5.9° |
| C2 | C1 | C4 | N1 | 179.6° | 179.9° |
| C2 | C1 | N1 | C | 0.3° | 0.3° |
| C1 | C2 | C7 | H3 | 179.9° | 177.6° |
| C2 | C1 | C4 | H4 | 178.4° | 177.4° |
| C7 | C6 | C5 | C8 | 178.4° | 156.8° |
| C7 | C6 | C5 | C4 | 3.0° | 23.6° |
| C7 | C6 | C5 | RU | 178.3° | 99.0° |
| C7 | C6 | C8 | C12 | 0.1° | 120.8° |
| C7 | C6 | C8 | N3 | 179.9° | 78.4° |
| C6 | C5 | C4 | RU | 175.2° | 111.8° |
| C6 | C5 | C4 | C1 | 3.0° | 16.8° |
| C5 | C6 | C8 | C12 | 178.4° | 82.4° |
| C5 | C6 | C8 | N3 | 1.6° | 78.4° |
| C6 | C5 | RU | N3 | 2.8° | 24.7° |
| C6 | C5 | RU | C13 | 91.0° | 105.4° |
| C6 | C5 | RU | C16 | 108.8° | 57.9° |
| C5 | C6 | C7 | H3 | 178.6° | 170.8° |
| C6 | C5 | C4 | H4 | 177.0° | 171.8° |
| C6 | C5 | RU | C17 | 87.7° | 71.1° |
| C6 | C5 | RU | C20 | 117.7° | 111.5° |
| C6 | C5 | RU | C19 | 157.0° | 153.9° |
| C6 | C5 | RU | C18 | 178.2° | 174.9° |
| C8 | C6 | C5 | C4 | 178.5° | 179.6° |
| C8 | C6 | C5 | RU | 3.3° | 57.8° |
| C6 | C8 | C12 | N3 | 180.0° | 159.0° |
| C6 | C8 | C12 | C11 | 179.8° | 175.1° |
| C6 | C8 | N3 | C9 | 179.5° | 177.8° |
| C6 | C8 | N3 | RU | 0.8° | 39.1° |
| C8 | C6 | C7 | H3 | 0.3° | 15.6° |
| C6 | C8 | C12 | H5 | 0.2° | 16.0° |
| C5 | C4 | C1 | H4 | 180.0° | 171.4° |
| C5 | C4 | C1 | N1 | 178.8° | 174.2° |
| C4 | C5 | RU | N3 | 178.3° | 150.1° |
| C4 | C5 | RU | C13 | 84.5° | 129.2° |
| C4 | C5 | RU | C16 | 75.7° | 67.5° |
| C4 | C5 | RU | C17 | 96.8° | 54.3° |
| C4 | C5 | RU | C20 | 66.8° | 13.8° |
| C4 | C5 | RU | C19 | 27.5° | 28.5° |
| C4 | C5 | RU | C18 | 6.3° | 49.6° |
| RU | C5 | C4 | C1 | 178.2° | 95.1° |
| C5 | RU | N3 | C8 | 1.9° | 8.4° |
| C5 | RU | N3 | C9 | 179.3° | 139.2° |
| C5 | RU | N3 | C13 | 82.8° | 89.4° |
| C5 | RU | N3 | C16 | 158.3° | 156.5° |
| C5 | RU | N3 | C17 | 121.0° | 112.8° |
| C5 | RU | N3 | C20 | 86.6° | 94.1° |
| C5 | RU | N3 | C19 | 84.5° | 175.8° |
| C5 | RU | N3 | C18 | 174.2° | 169.6° |
| C5 | RU | C13 | O11 | 153.5° | 87.4° |
| C5 | RU | C13 | C16 | 172.1° | 172.7° |
| C5 | RU | C13 | C17 | 177.1° | 171.3° |
| C5 | RU | C13 | C20 | 83.9° | 97.9° |
| C5 | RU | C13 | C19 | 98.1° | 112.0° |
| C5 | RU | C13 | C18 | 136.0° | 152.7° |
| C5 | RU | C16 | C17 | 28.9° | 17.6° |
| C5 | RU | C16 | C20 | 9.8° | 58.1° |
| C5 | RU | C16 | C19 | 53.2° | 104.5° |
| C5 | RU | C16 | C18 | 93.2° | 143.0° |
| C5 | RU | C16 | C15 | 152.0° | 32.6° |
| C5 | RU | C20 | C17 | 137.8° | 118.2° |
| C5 | RU | C19 | C18 | 157.4° | 165.8° |
| C5 | RU | C20 | C19 | 102.3° | 115.7° |
| RU | C5 | C4 | H4 | 1.8° | 76.3° |
| C5 | RU | C17 | H15 | 70.2° | 48.9° |
| C5 | RU | C18 | H16 | 89.2° | 90.3° |
| C5 | RU | C19 | H17 | 38.1° | 46.6° |
| C5 | RU | C20 | H18 | 17.9° | 2.6° |
| C5 | RU | C17 | C19 | 88.2° | 107.9° |
| C5 | RU | C17 | C18 | 132.0° | 152.2° |
| C5 | RU | C20 | C18 | 139.5° | 154.1° |
| C4 | C1 | N1 | C | 179.9° | 179.7° |
| C1 | N1 | C | C14 | 179.9° | 180.0° |
| N1 | C1 | C4 | H4 | 1.2° | 2.7° |
| N1 | C | C14 | H12 | 180.0° | 30.7° |
| N1 | C | C14 | H13 | 60.0° | 150.8° |
| N1 | C | C14 | H14 | 60.0° | 89.4° |
| C | C14 | H12 | H13 | 120.0° | 120.1° |
| C | C14 | H12 | H14 | 120.0° | 120.0° |
| C | C14 | H13 | H14 | 120.0° | 119.9° |
| C8 | C12 | C11 | H5 | 180.0° | 168.9° |
| C8 | C12 | C11 | C10 | 0.1° | 8.3° |
| C12 | C8 | N3 | C9 | 0.5° | 16.7° |
| C12 | C8 | N3 | RU | 179.2° | 122.0° |
| C8 | C12 | C11 | H6 | 180.0° | 173.4° |
| N3 | C8 | C12 | C11 | 0.2° | 16.1° |
| C8 | N3 | C9 | C10 | 0.6° | 10.1° |
| C8 | N3 | C9 | RU | 178.6° | 121.5° |
| C8 | N3 | RU | C13 | 81.0° | 81.0° |
| C8 | N3 | RU | C16 | 160.2° | 164.9° |
| N3 | C8 | C12 | H5 | 179.8° | 175.0° |
| C8 | N3 | C9 | H8 | 179.5° | 173.4° |
| C8 | N3 | RU | C17 | 122.8° | 121.2° |
| C8 | N3 | RU | C20 | 88.5° | 102.4° |
| C8 | N3 | RU | C19 | 86.4° | 175.9° |
| C8 | N3 | RU | C18 | 176.0° | 161.2° |
| C12 | C11 | C10 | H6 | 180.0° | 178.3° |
| C12 | C11 | C10 | C9 | 0.0° | 2.1° |
| C12 | C11 | C10 | H7 | 179.9° | 178.3° |
| C11 | C10 | C9 | H7 | 180.0° | 179.6° |
| C11 | C10 | C9 | N3 | 0.3° | 3.0° |
| C10 | C11 | C12 | H5 | 180.0° | 177.2° |
| C11 | C10 | C9 | H8 | 179.7° | 179.4° |
| C10 | C9 | N3 | H8 | 180.0° | 176.5° |
| C10 | C9 | N3 | RU | 179.2° | 111.4° |
| C9 | C10 | C11 | H6 | 179.9° | 179.6° |
| C9 | N3 | RU | C13 | 97.8° | 49.9° |
| C9 | N3 | RU | C16 | 21.0° | 64.3° |
| N3 | C9 | C10 | H7 | 179.7° | 177.4° |
| C9 | N3 | RU | C17 | 58.4° | 107.9° |
| C9 | N3 | RU | C20 | 92.7° | 126.7° |
| C9 | N3 | RU | C19 | 94.8° | 45.0° |
| C9 | N3 | RU | C18 | 5.2° | 30.3° |
| N3 | RU | C13 | O11 | 77.4° | 1.4° |
| N3 | RU | C13 | C16 | 111.9° | 86.7° |
| N3 | RU | C13 | C17 | 101.1° | 85.4° |
| N3 | RU | C13 | C20 | 159.9° | 176.1° |
| N3 | RU | C13 | C19 | 174.1° | 162.0° |
| N3 | RU | C13 | C18 | 148.0° | 121.4° |
| N3 | RU | C16 | C17 | 71.0° | 99.1° |
| N3 | RU | C16 | C20 | 109.7° | 139.6° |
| N3 | RU | C16 | C19 | 153.2° | 173.9° |
| N3 | RU | C16 | C18 | 166.8° | 135.5° |
| N3 | RU | C16 | C15 | 52.0° | 114.1° |
| N3 | RU | C20 | C17 | 61.5° | 28.2° |
| N3 | RU | C19 | C18 | 123.5° | 18.8° |
| N3 | RU | C20 | C19 | 178.6° | 154.3° |
| RU | N3 | C9 | H8 | 0.8° | 65.1° |
| N3 | RU | C17 | H15 | 5.5° | 39.5° |
| N3 | RU | C18 | H16 | 99.0° | 66.9° |
| N3 | RU | C19 | H17 | 117.3° | 138.0° |
| N3 | RU | C20 | H18 | 58.4° | 87.4° |
| N3 | RU | C17 | C19 | 163.9° | 163.7° |
| N3 | RU | C17 | C18 | 152.2° | 119.4° |
| N3 | RU | C20 | C18 | 144.2° | 115.8° |
| O11 | C13 | RU | C16 | 34.4° | 85.3° |
| O11 | C13 | RU | C17 | 23.6° | 83.9° |
| O11 | C13 | RU | C20 | 122.6° | 174.7° |
| O11 | C13 | RU | C19 | 108.4° | 160.6° |
| O11 | C13 | RU | C18 | 70.5° | 119.9° |
| C13 | RU | C16 | C17 | 173.1° | 179.2° |
| C13 | RU | C16 | C20 | 148.2° | 140.2° |
| C13 | RU | C16 | C19 | 104.7° | 93.8° |
| C13 | RU | C16 | C18 | 64.8° | 55.3° |
| C13 | RU | C16 | C15 | 50.1° | 165.8° |
| C13 | RU | C20 | C17 | 140.7° | 146.2° |
| C13 | RU | C19 | C18 | 70.2° | 73.0° |
| C13 | RU | C20 | C19 | 20.8° | 20.1° |
| C13 | RU | C17 | H15 | 106.4° | 121.7° |
| C13 | RU | C18 | H16 | 3.1° | 10.1° |
| C13 | RU | C19 | H17 | 49.0° | 46.2° |
| C13 | RU | C20 | H18 | 99.4° | 98.2° |
| C13 | RU | C17 | C19 | 95.1° | 81.6° |
| C13 | RU | C17 | C18 | 51.3° | 37.2° |
| C13 | RU | C20 | C18 | 58.0° | 58.6° |
| RU | C16 | C15 | O | 84.6° | 100.7° |
| RU | C16 | C15 | C17 | 86.8° | 13.9° |
| RU | C16 | C15 | C18 | 82.1° | 104.7° |
| RU | C16 | C15 | O1 | 97.9° | 68.4° |
| RU | C16 | C17 | C18 | 59.7° | 52.6° |
| C16 | RU | C17 | C20 | 116.8° | 115.1° |
| C16 | RU | C18 | C19 | 115.1° | 119.3° |
| C16 | RU | C19 | C20 | 80.6° | 80.2° |
| C16 | RU | C17 | H15 | 121.6° | 123.5° |
| C16 | RU | C18 | H16 | 122.5° | 121.0° |
| C16 | RU | C19 | H17 | 159.1° | 158.3° |
| C16 | RU | C20 | H18 | 158.6° | 157.3° |
| C16 | RU | C17 | C19 | 80.0° | 79.7° |
| C16 | RU | C20 | C18 | 44.0° | 46.0° |
| O | C15 | C16 | O1 | 177.5° | 169.1° |
| O | C15 | C16 | C17 | 171.4° | 114.6° |
| O | C15 | C16 | C18 | 2.5° | 4.0° |
| O | C15 | O1 | C21 | 7.7° | 34.3° |
| C15 | C16 | C17 | C18 | 169.6° | 123.9° |
| C15 | C16 | C17 | C20 | 169.7° | 111.9° |
| C15 | C16 | C18 | C19 | 170.5° | 108.0° |
| C16 | C15 | O1 | C21 | 169.9° | 134.8° |
| C15 | C16 | C17 | H15 | 6.1° | 70.7° |
| C15 | C16 | C18 | H16 | 4.6° | 71.4° |
| C15 | C16 | RU | C20 | 161.7° | 25.5° |
| C15 | C16 | RU | C19 | 154.8° | 71.9° |
| O1 | C15 | C16 | C17 | 11.1° | 54.5° |
| O1 | C15 | C16 | C18 | 180.0° | 173.1° |
| C15 | O1 | C21 | C22 | 81.1° | 170.5° |
| C15 | O1 | C21 | C27 | 97.5° | 19.0° |
| C16 | C17 | C20 | H15 | 163.7° | 177.5° |
| C17 | C16 | C18 | C19 | 0.1° | 7.1° |
| C16 | C17 | C20 | C19 | 0.0° | 12.2° |
| C17 | C16 | C18 | H16 | 165.9° | 173.5° |
| C16 | C17 | C20 | H18 | 163.8° | 161.4° |
| C18 | C16 | C17 | C20 | 0.1° | 12.0° |
| C16 | C18 | C19 | H16 | 166.0° | 179.4° |
| C16 | C18 | C19 | C20 | 0.0° | 0.5° |
| C18 | C16 | C17 | H15 | 163.5° | 165.4° |
| C16 | C18 | C19 | H17 | 165.3° | 179.6° |
| C17 | C20 | C19 | C18 | 0.0° | 8.0° |
| C17 | C20 | C19 | H18 | 163.7° | 173.6° |
| C17 | C20 | C19 | RU | 60.0° | 50.2° |
| C20 | C17 | H15 | RU | 80.8° | 89.0° |
| C17 | C20 | C19 | H17 | 165.1° | 172.0° |
| C17 | C20 | H18 | RU | 81.6° | 91.8° |
| C17 | C20 | RU | C18 | 82.7° | 87.7° |
| C18 | C19 | C20 | H17 | 165.1° | 180.0° |
| C18 | C19 | C20 | RU | 60.0° | 58.2° |
| C19 | C18 | H16 | RU | 81.5° | 89.8° |
| C18 | C19 | H17 | RU | 81.0° | 88.6° |
| C18 | C19 | C20 | H18 | 163.7° | 165.5° |
| C18 | C19 | RU | C17 | 83.4° | 84.8° |
| C19 | C20 | C17 | H15 | 163.6° | 165.3° |
| C20 | C19 | C18 | H16 | 165.9° | 179.0° |
| C20 | C19 | H17 | RU | 82.1° | 91.4° |
| C19 | C20 | H18 | RU | 79.6° | 95.7° |
| O1 | C21 | C22 | C27 | 178.6° | 171.1° |
| O1 | C21 | C22 | O2 | 0.9° | 6.2° |
| O1 | C21 | C22 | C24 | 178.9° | 178.2° |
| O1 | C21 | C27 | C26 | 179.1° | 176.6° |
| O1 | C21 | C27 | O3 | 1.1° | 7.0° |
| C21 | C22 | O2 | C24 | 179.8° | 175.1° |
| C21 | C22 | O2 | C23 | 112.9° | 170.4° |
| C21 | C22 | C24 | C25 | 0.1° | 4.2° |
| C22 | C21 | C27 | C26 | 0.4° | 6.7° |
| C22 | C21 | C27 | O3 | 179.8° | 176.8° |
| C21 | C22 | C24 | H22 | 179.9° | 176.8° |
| C27 | C21 | C22 | O2 | 179.6° | 177.3° |
| C27 | C21 | C22 | C24 | 0.2° | 7.1° |
| C21 | C27 | C26 | C25 | 0.3° | 3.6° |
| C21 | C27 | C26 | O3 | 179.8° | 176.0° |
| C21 | C27 | O3 | C28 | 152.0° | 171.7° |
| C21 | C27 | C26 | H24 | 179.8° | 177.0° |
| O2 | C22 | C24 | C25 | 179.9° | 179.1° |
| C22 | O2 | C23 | H19 | 180.0° | 54.9° |
| C22 | O2 | C23 | H20 | 60.0° | 174.7° |
| C22 | O2 | C23 | H21 | 60.0° | 65.4° |
| O2 | C22 | C24 | H22 | 0.1° | 1.9° |
| C24 | C22 | O2 | C23 | 66.9° | 14.4° |
| C22 | C24 | C25 | H22 | 180.0° | 179.0° |
| C22 | C24 | C25 | C26 | 0.2° | 1.1° |
| C22 | C24 | C25 | H23 | 179.7° | 179.2° |
| O2 | C23 | H19 | H20 | 120.0° | 119.7° |
| O2 | C23 | H19 | H21 | 120.0° | 120.2° |
| O2 | C23 | H20 | H21 | 120.0° | 120.1° |
| C24 | C25 | C26 | H23 | 180.0° | 179.7° |
| C24 | C25 | C26 | C27 | 0.0° | 0.8° |
| C24 | C25 | C26 | H24 | 179.9° | 179.8° |
| C25 | C26 | C27 | H24 | 180.0° | 179.4° |
| C25 | C26 | C27 | O3 | 180.0° | 179.6° |
| C26 | C25 | C24 | H22 | 179.8° | 179.9° |
| C26 | C27 | O3 | C28 | 27.8° | 12.2° |
| C27 | C26 | C25 | H23 | 179.9° | 179.5° |
| O3 | C27 | C26 | H24 | 0.0° | 1.0° |
| C27 | O3 | C28 | H25 | 180.0° | 64.6° |
| C27 | O3 | C28 | H26 | 60.0° | 175.5° |
| C27 | O3 | C28 | H27 | 60.0° | 55.7° |
| O3 | C28 | H25 | H26 | 120.0° | 119.8° |
| O3 | C28 | H25 | H27 | 120.0° | 120.3° |
| O3 | C28 | H26 | H27 | 120.0° | 119.9° |
| H5 | C12 | C11 | H6 | 0.0° | 4.5° |
| H6 | C11 | C10 | H7 | 0.1° | 0.0° |
| H7 | C10 | C9 | H8 | 0.3° | 1.0° |
| H12 | C14 | H13 | H14 | 120.0° | 119.9° |
| H15 | C17 | C20 | H18 | 0.2° | 21.1° |
| H15 | C17 | RU | C19 | 158.4° | 156.8° |
| H15 | C17 | RU | C18 | 157.7° | 158.9° |
| H16 | C18 | C19 | H17 | 0.7° | 1.0° |
| H16 | C18 | RU | C17 | 158.1° | 156.7° |
| H16 | C18 | RU | C20 | 158.8° | 159.0° |
| H17 | C19 | C20 | H18 | 1.4° | 14.4° |
| H17 | C19 | RU | C17 | 157.4° | 156.0° |
| H18 | C20 | RU | C18 | 157.4° | 156.8° |
| H19 | C23 | H20 | H21 | 119.9° | 120.1° |
| H22 | C24 | C25 | H23 | 0.3° | 0.2° |
| H23 | C25 | C26 | H24 | 0.1° | 0.1° |
| H25 | C28 | H26 | H27 | 120.0° | 120.1° |
