NUT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C28 | doub | 1.21Å | 1.23Å | |
| C28 | C29 | sing | 1.50Å | 1.51Å | |
| C28 | N3 | sing | 1.33Å | 1.34Å | |
| C29 | N2 | sing | 1.47Å | 1.47Å | |
| O3 | C25 | doub | 1.22Å | 1.25Å | |
| N3 | C27 | sing | 1.46Å | 1.47Å | |
| C25 | N2 | sing | 1.35Å | 1.33Å | |
| C25 | N1 | sing | 1.35Å | 1.36Å | |
| N2 | C26 | sing | 1.47Å | 1.47Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C11 | C18 | sing | 1.54Å | 1.61Å | |
| C11 | N | sing | 1.47Å | 1.48Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | C18 | sing | 1.47Å | 1.46Å | |
| N1 | C10 | sing | 1.38Å | 1.35Å | |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C10 | N | doub | 1.29Å | 1.27Å | |
| C10 | C9 | sing | 1.48Å | 1.50Å | |
| C9 | C5 | doub | 1.40Å | 1.47Å | Aromatic |
| C | O | sing | 1.43Å | 1.44Å | |
| C12 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | O | sing | 1.36Å | 1.37Å | |
| C1 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | O1 | sing | 1.36Å | 1.37Å | |
| C8 | C6 | sing | 1.53Å | 1.53Å | |
| O1 | C6 | sing | 1.43Å | 1.45Å | |
| C19 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.43Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | CL | sing | 1.74Å | 1.79Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | CL1 | sing | 1.74Å | 1.77Å | |
| C29 | H1 | sing | 1.09Å | 1.10Å | |
| C29 | H2 | sing | 1.09Å | 1.10Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C27 | H4 | sing | 1.09Å | 1.10Å | |
| C27 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.08Å | 1.08Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C21 | H25 | sing | 1.08Å | 1.08Å | |
| C20 | H26 | sing | 1.08Å | 1.08Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.08Å | 1.08Å | |
| C16 | H31 | sing | 1.08Å | 1.08Å | |
| C14 | H32 | sing | 1.08Å | 1.08Å | |
| C13 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C28 | C29 | 118.1° | 118.5° |
| O2 | C28 | N3 | 122.6° | 118.5° |
| C29 | C28 | N3 | 119.3° | 123.0° |
| C28 | C29 | N2 | 114.6° | 108.9° |
| C28 | C29 | H1 | 108.2° | 109.6° |
| C28 | C29 | H2 | 108.2° | 109.8° |
| C28 | N3 | C27 | 123.4° | 124.6° |
| C28 | N3 | H3 | 118.3° | 117.7° |
| C29 | N2 | C25 | 120.1° | 121.4° |
| C29 | N2 | C26 | 115.7° | 117.3° |
| N2 | C29 | H1 | 108.2° | 109.5° |
| N2 | C29 | H2 | 108.2° | 109.5° |
| O3 | C25 | N2 | 118.9° | 120.0° |
| O3 | C25 | N1 | 116.7° | 120.0° |
| N3 | C27 | C26 | 113.9° | 110.7° |
| C27 | N3 | H3 | 118.3° | 117.7° |
| N3 | C27 | H4 | 108.4° | 109.2° |
| N3 | C27 | H5 | 108.4° | 109.2° |
| N2 | C25 | N1 | 124.4° | 120.0° |
| C25 | N2 | C26 | 124.0° | 121.4° |
| C25 | N1 | C18 | 122.8° | 125.9° |
| C25 | N1 | C10 | 121.4° | 125.8° |
| N2 | C26 | C27 | 107.3° | 107.9° |
| N2 | C26 | H6 | 110.0° | 109.7° |
| N2 | C26 | H7 | 110.0° | 109.7° |
| C26 | C27 | H4 | 108.3° | 109.3° |
| C26 | C27 | H5 | 108.3° | 109.1° |
| C27 | C26 | H6 | 110.0° | 109.8° |
| C27 | C26 | H7 | 110.0° | 109.8° |
| C18 | C11 | N | 104.1° | 104.2° |
| C18 | C11 | C12 | 117.3° | 110.5° |
| C11 | C18 | N1 | 94.2° | 103.3° |
| C11 | C18 | C19 | 108.5° | 110.7° |
| C11 | C18 | H22 | 109.5° | 110.8° |
| C18 | C11 | H27 | 107.3° | 110.5° |
| N | C11 | C12 | 110.6° | 110.3° |
| C11 | N | C10 | 108.1° | 110.1° |
| N | C11 | H27 | 108.8° | 110.7° |
| C11 | C12 | C17 | 120.6° | 120.0° |
| C11 | C12 | C13 | 120.2° | 120.0° |
| C12 | C11 | H27 | 108.4° | 110.5° |
| C2 | C3 | C9 | 120.6° | 120.0° |
| C3 | C2 | C1 | 120.1° | 120.2° |
| C2 | C3 | H9 | 119.7° | 120.0° |
| C3 | C2 | H10 | 120.0° | 119.9° |
| C3 | C9 | C10 | 121.4° | 120.1° |
| C3 | C9 | C5 | 118.9° | 119.7° |
| C9 | C3 | H9 | 119.7° | 120.0° |
| C18 | N1 | C10 | 112.6° | 108.3° |
| N1 | C18 | C19 | 120.7° | 110.6° |
| N1 | C18 | H22 | 111.5° | 110.6° |
| N1 | C10 | N | 112.3° | 114.1° |
| N1 | C10 | C9 | 127.0° | 123.0° |
| C2 | C1 | O | 121.7° | 119.9° |
| C2 | C1 | C4 | 121.0° | 120.2° |
| C1 | C2 | H10 | 119.9° | 119.9° |
| C12 | C17 | C16 | 119.5° | 120.0° |
| C17 | C12 | C13 | 119.2° | 120.1° |
| C12 | C17 | H30 | 120.2° | 120.0° |
| C17 | C16 | C15 | 120.3° | 120.0° |
| C16 | C17 | H30 | 120.2° | 120.0° |
| C17 | C16 | H31 | 119.8° | 120.0° |
| C18 | C19 | C24 | 116.0° | 120.0° |
| C18 | C19 | C20 | 122.6° | 120.0° |
| C19 | C18 | H22 | 110.8° | 110.6° |
| N | C10 | C9 | 120.4° | 122.9° |
| C10 | C9 | C5 | 119.7° | 120.1° |
| C9 | C5 | C4 | 119.1° | 119.8° |
| C9 | C5 | O1 | 118.7° | 120.1° |
| C | O | C1 | 121.9° | 117.0° |
| O | C | H19 | 109.5° | 109.5° |
| O | C | H20 | 109.5° | 109.4° |
| O | C | H21 | 109.5° | 109.5° |
| C12 | C13 | C14 | 122.8° | 120.0° |
| C12 | C13 | H33 | 118.6° | 120.0° |
| O | C1 | C4 | 117.2° | 119.9° |
| C1 | C4 | C5 | 120.3° | 120.0° |
| C1 | C4 | H18 | 119.8° | 120.0° |
| C16 | C15 | C14 | 122.1° | 120.0° |
| C16 | C15 | CL | 121.8° | 120.0° |
| C15 | C16 | H31 | 119.9° | 120.0° |
| C4 | C5 | O1 | 122.2° | 120.1° |
| C5 | C4 | H18 | 119.9° | 120.0° |
| C5 | O1 | C6 | 120.4° | 117.0° |
| C8 | C6 | O1 | 109.5° | 109.5° |
| C8 | C6 | C7 | 113.1° | 109.5° |
| C8 | C6 | H11 | 108.0° | 109.5° |
| C6 | C8 | H12 | 109.5° | 109.5° |
| C6 | C8 | H13 | 109.5° | 109.5° |
| C6 | C8 | H14 | 109.5° | 109.5° |
| O1 | C6 | C7 | 108.8° | 109.5° |
| O1 | C6 | H11 | 109.1° | 109.4° |
| C24 | C19 | C20 | 121.0° | 120.0° |
| C19 | C24 | C23 | 119.1° | 120.0° |
| C19 | C24 | H23 | 120.4° | 120.0° |
| C19 | C20 | C21 | 120.4° | 120.0° |
| C19 | C20 | H26 | 119.8° | 120.0° |
| C24 | C23 | C22 | 118.6° | 120.0° |
| C23 | C24 | H23 | 120.5° | 120.0° |
| C24 | C23 | H24 | 120.7° | 120.0° |
| C13 | C14 | C15 | 116.1° | 120.0° |
| C13 | C14 | H32 | 121.9° | 120.0° |
| C14 | C13 | H33 | 118.6° | 120.0° |
| C14 | C15 | CL | 116.1° | 120.0° |
| C15 | C14 | H32 | 122.0° | 120.0° |
| C7 | C6 | H11 | 108.1° | 109.5° |
| C6 | C7 | H15 | 109.5° | 109.5° |
| C6 | C7 | H16 | 109.5° | 109.4° |
| C6 | C7 | H17 | 109.5° | 109.5° |
| C20 | C21 | C22 | 116.7° | 120.0° |
| C20 | C21 | H25 | 121.7° | 120.0° |
| C21 | C20 | H26 | 119.8° | 120.0° |
| C23 | C22 | C21 | 124.2° | 120.0° |
| C23 | C22 | CL1 | 118.0° | 120.0° |
| C22 | C23 | H24 | 120.7° | 120.0° |
| C21 | C22 | CL1 | 117.6° | 120.0° |
| C22 | C21 | H25 | 121.6° | 120.0° |
| H1 | C29 | H2 | 109.5° | 109.6° |
| H4 | C27 | H5 | 109.5° | 109.2° |
| H6 | C26 | H7 | 109.5° | 109.8° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.4° | 109.4° |
| H15 | C7 | H16 | 109.5° | 109.5° |
| H15 | C7 | H17 | 109.5° | 109.5° |
| H16 | C7 | H17 | 109.5° | 109.5° |
| H19 | C | H20 | 109.4° | 109.4° |
| H19 | C | H21 | 109.5° | 109.5° |
| H20 | C | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C28 | C29 | N3 | 179.7° | 179.9° |
| O2 | C28 | C29 | N2 | 174.9° | 167.3° |
| O2 | C28 | N3 | C27 | 177.1° | 175.7° |
| O2 | C28 | C29 | H1 | 54.1° | 47.5° |
| O2 | C28 | C29 | H2 | 64.4° | 72.8° |
| O2 | C28 | N3 | H3 | 2.9° | 4.3° |
| C28 | C29 | N2 | H1 | 120.7° | 119.8° |
| C28 | C29 | N2 | H2 | 120.8° | 120.0° |
| C29 | C28 | N3 | C27 | 3.2° | 4.4° |
| C28 | C29 | N2 | C25 | 147.3° | 137.3° |
| C28 | C29 | N2 | C26 | 37.6° | 43.1° |
| C28 | C29 | H1 | H2 | 117.7° | 120.5° |
| C29 | C28 | N3 | H3 | 176.8° | 175.6° |
| N3 | C28 | C29 | N2 | 4.8° | 12.8° |
| C28 | N3 | C27 | H3 | 180.0° | 180.0° |
| C28 | N3 | C27 | C26 | 19.7° | 22.0° |
| N3 | C28 | C29 | H1 | 125.6° | 132.6° |
| N3 | C28 | C29 | H2 | 115.9° | 107.1° |
| C28 | N3 | C27 | H4 | 140.3° | 98.4° |
| C28 | N3 | C27 | H5 | 101.0° | 142.2° |
| C29 | N2 | C25 | O3 | 7.0° | 170.3° |
| C29 | N2 | C25 | C26 | 174.6° | 179.6° |
| C29 | N2 | C25 | N1 | 173.5° | 9.3° |
| C29 | N2 | C26 | C27 | 58.3° | 61.8° |
| N2 | C29 | H1 | H2 | 117.7° | 120.2° |
| C29 | N2 | C26 | H6 | 178.0° | 57.9° |
| C29 | N2 | C26 | H7 | 61.3° | 178.6° |
| O3 | C25 | N2 | N1 | 179.5° | 179.6° |
| O3 | C25 | N2 | C26 | 167.6° | 10.1° |
| O3 | C25 | N1 | C18 | 134.8° | 173.8° |
| O3 | C25 | N1 | C10 | 23.1° | 6.5° |
| N3 | C27 | C26 | N2 | 48.1° | 46.9° |
| N3 | C27 | C26 | H4 | 120.7° | 120.4° |
| N3 | C27 | C26 | H5 | 120.7° | 120.2° |
| N3 | C27 | H4 | H5 | 118.0° | 119.3° |
| N3 | C27 | C26 | H6 | 167.8° | 72.7° |
| N3 | C27 | C26 | H7 | 71.5° | 166.5° |
| C25 | N2 | C26 | C27 | 126.8° | 118.5° |
| N2 | C25 | N1 | C18 | 45.7° | 5.8° |
| N2 | C25 | N1 | C10 | 156.4° | 173.8° |
| C25 | N2 | C29 | H1 | 26.6° | 17.5° |
| C25 | N2 | C29 | H2 | 91.9° | 102.7° |
| C25 | N2 | C26 | H6 | 7.2° | 121.8° |
| C25 | N2 | C26 | H7 | 113.5° | 1.1° |
| N1 | C25 | N2 | C26 | 11.8° | 170.3° |
| C25 | N1 | C18 | C11 | 132.0° | 180.0° |
| C25 | N1 | C18 | C10 | 159.7° | 179.7° |
| C25 | N1 | C18 | C19 | 113.5° | 61.5° |
| C25 | N1 | C10 | N | 140.6° | 179.9° |
| C25 | N1 | C10 | C9 | 33.7° | 0.0° |
| C25 | N1 | C18 | H22 | 19.2° | 61.5° |
| N2 | C26 | C27 | H6 | 119.7° | 119.6° |
| N2 | C26 | C27 | H7 | 119.7° | 119.5° |
| C26 | N2 | C29 | H1 | 158.3° | 162.9° |
| C26 | N2 | C29 | H2 | 83.2° | 76.9° |
| N2 | C26 | C27 | H4 | 168.8° | 73.5° |
| N2 | C26 | C27 | H5 | 72.5° | 167.1° |
| N2 | C26 | H6 | H7 | 121.0° | 120.6° |
| C26 | C27 | N3 | H3 | 160.3° | 157.9° |
| C26 | C27 | H4 | H5 | 117.9° | 119.3° |
| C27 | C26 | H6 | H7 | 121.0° | 120.9° |
| C18 | C11 | N | C12 | 126.9° | 118.6° |
| C18 | C11 | N | H27 | 114.1° | 118.8° |
| C18 | C11 | C12 | H27 | 121.7° | 122.6° |
| C11 | C18 | N1 | C19 | 114.5° | 118.5° |
| C11 | C18 | N1 | H22 | 112.8° | 118.6° |
| C11 | C18 | N1 | C10 | 27.7° | 0.3° |
| C18 | C11 | C12 | C17 | 92.6° | 79.8° |
| C11 | C18 | C19 | H22 | 120.2° | 123.2° |
| C18 | C11 | N | C10 | 19.0° | 0.1° |
| C18 | C11 | C12 | C13 | 87.1° | 100.0° |
| C11 | C18 | C19 | C24 | 90.0° | 104.7° |
| C11 | C18 | C19 | C20 | 82.5° | 75.1° |
| N | C11 | C12 | H27 | 119.2° | 122.7° |
| N | C11 | C18 | N1 | 26.3° | 0.2° |
| C11 | N | C10 | N1 | 1.5° | 0.1° |
| N | C11 | C12 | C17 | 148.3° | 34.9° |
| N | C11 | C18 | C19 | 98.1° | 118.2° |
| C11 | N | C10 | C9 | 173.2° | 179.9° |
| N | C11 | C12 | C13 | 32.0° | 145.3° |
| N | C11 | C18 | H22 | 140.9° | 118.7° |
| C12 | C11 | C18 | N1 | 148.9° | 118.7° |
| C11 | C12 | C17 | C13 | 179.7° | 179.8° |
| C11 | C12 | C17 | C16 | 179.4° | 180.0° |
| C12 | C11 | C18 | C19 | 24.5° | 0.2° |
| C12 | C11 | N | C10 | 145.9° | 118.7° |
| C11 | C12 | C13 | C14 | 178.0° | 179.7° |
| C12 | C11 | C18 | H22 | 96.6° | 122.9° |
| C11 | C12 | C17 | H30 | 0.7° | 0.1° |
| C11 | C12 | C13 | H33 | 2.0° | 0.1° |
| C2 | C3 | C9 | H9 | 180.0° | 180.0° |
| C3 | C2 | C1 | H10 | 180.0° | 179.9° |
| C2 | C3 | C9 | C10 | 179.5° | 180.0° |
| C2 | C3 | C9 | C5 | 0.3° | 0.2° |
| C3 | C2 | C1 | O | 179.4° | 180.0° |
| C3 | C2 | C1 | C4 | 1.9° | 0.2° |
| C3 | C9 | C10 | N1 | 142.8° | 121.1° |
| C9 | C3 | C2 | C1 | 1.2° | 0.0° |
| C3 | C9 | C10 | N | 31.1° | 58.9° |
| C3 | C9 | C10 | C5 | 179.2° | 179.8° |
| C3 | C9 | C5 | C4 | 0.2° | 0.2° |
| C3 | C9 | C5 | O1 | 179.9° | 179.8° |
| C9 | C3 | C2 | H10 | 178.8° | 180.0° |
| N1 | C18 | C19 | H22 | 133.0° | 122.9° |
| C18 | N1 | C10 | N | 19.4° | 0.3° |
| C18 | N1 | C10 | C9 | 166.3° | 179.7° |
| N1 | C18 | C19 | C24 | 163.2° | 141.4° |
| N1 | C18 | C19 | C20 | 24.3° | 38.8° |
| N1 | C18 | C11 | H27 | 88.9° | 118.7° |
| C10 | N1 | C18 | C19 | 86.8° | 118.2° |
| N1 | C10 | N | C9 | 174.7° | 180.0° |
| N1 | C10 | C9 | C5 | 38.1° | 59.1° |
| C10 | N1 | C18 | H22 | 140.5° | 118.9° |
| C2 | C1 | O | C | 2.4° | 0.1° |
| C2 | C1 | O | C4 | 178.7° | 179.8° |
| C2 | C1 | C4 | C5 | 1.8° | 0.3° |
| C1 | C2 | C3 | H9 | 178.8° | 180.0° |
| C2 | C1 | C4 | H18 | 178.2° | 179.8° |
| C12 | C17 | C16 | H30 | 180.0° | 180.0° |
| C12 | C17 | C16 | C15 | 0.3° | 0.0° |
| C17 | C12 | C13 | C14 | 1.7° | 0.4° |
| C17 | C12 | C11 | H27 | 29.1° | 157.6° |
| C12 | C17 | C16 | H31 | 179.7° | 180.0° |
| C17 | C12 | C13 | H33 | 178.3° | 179.7° |
| C16 | C17 | C12 | C13 | 0.4° | 0.2° |
| C17 | C16 | C15 | H31 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.3° | 0.0° |
| C17 | C16 | C15 | CL | 179.7° | 180.0° |
| C18 | C19 | C24 | C20 | 172.6° | 179.8° |
| C18 | C19 | C24 | C23 | 174.5° | 180.0° |
| C18 | C19 | C20 | C21 | 173.3° | 179.7° |
| C18 | C19 | C24 | H23 | 5.5° | 0.1° |
| C18 | C19 | C20 | H26 | 6.7° | 0.1° |
| C19 | C18 | C11 | H27 | 146.7° | 122.8° |
| N | C10 | C9 | C5 | 148.1° | 120.9° |
| C10 | N | C11 | H27 | 95.1° | 118.7° |
| C10 | C9 | C5 | C4 | 179.4° | 180.0° |
| C10 | C9 | C5 | O1 | 0.9° | 0.0° |
| C10 | C9 | C3 | H9 | 0.5° | 0.0° |
| C9 | C5 | C4 | C1 | 0.9° | 0.1° |
| C9 | C5 | C4 | O1 | 179.7° | 180.0° |
| C9 | C5 | O1 | C6 | 174.7° | 174.3° |
| C5 | C9 | C3 | H9 | 179.7° | 179.8° |
| C9 | C5 | C4 | H18 | 179.1° | 180.0° |
| C | O | C1 | C4 | 176.4° | 179.7° |
| O | C | H19 | H20 | 120.0° | 120.0° |
| O | C | H19 | H21 | 120.0° | 120.0° |
| O | C | H20 | H21 | 120.0° | 120.0° |
| C12 | C13 | C14 | H33 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 2.2° | 0.5° |
| C13 | C12 | C11 | H27 | 151.2° | 22.6° |
| C13 | C12 | C17 | H30 | 179.6° | 179.8° |
| C12 | C13 | C14 | H32 | 177.8° | 179.7° |
| O | C1 | C4 | C5 | 179.5° | 180.0° |
| O | C1 | C2 | H10 | 0.6° | 0.1° |
| O | C1 | C4 | H18 | 0.5° | 0.0° |
| C1 | O | C | H19 | 180.0° | 60.0° |
| C1 | O | C | H20 | 60.0° | 180.0° |
| C1 | O | C | H21 | 60.0° | 60.0° |
| C1 | C4 | C5 | H18 | 180.0° | 180.0° |
| C1 | C4 | C5 | O1 | 179.4° | 180.0° |
| C4 | C1 | C2 | H10 | 178.1° | 179.7° |
| C16 | C15 | C14 | C13 | 1.5° | 0.3° |
| C16 | C15 | C14 | CL | 179.4° | 180.0° |
| C15 | C16 | C17 | H30 | 179.7° | 180.0° |
| C16 | C15 | C14 | H32 | 178.5° | 179.9° |
| C4 | C5 | O1 | C6 | 5.6° | 5.8° |
| C5 | O1 | C6 | C8 | 83.1° | 93.8° |
| C5 | O1 | C6 | C7 | 152.7° | 146.1° |
| C5 | O1 | C6 | H11 | 34.9° | 26.1° |
| O1 | C5 | C4 | H18 | 0.6° | 0.0° |
| C8 | C6 | O1 | C7 | 124.2° | 120.0° |
| C8 | C6 | O1 | H11 | 118.1° | 120.0° |
| C8 | C6 | C7 | H11 | 119.6° | 120.0° |
| C6 | C8 | H12 | H13 | 120.0° | 120.0° |
| C6 | C8 | H12 | H14 | 120.0° | 120.0° |
| C6 | C8 | H13 | H14 | 120.0° | 120.0° |
| C8 | C6 | C7 | H15 | 180.0° | 180.0° |
| C8 | C6 | C7 | H16 | 60.0° | 60.0° |
| C8 | C6 | C7 | H17 | 60.0° | 60.0° |
| O1 | C6 | C7 | H11 | 118.4° | 120.0° |
| O1 | C6 | C8 | H12 | 180.0° | 60.0° |
| O1 | C6 | C8 | H13 | 60.0° | 180.0° |
| O1 | C6 | C8 | H14 | 60.0° | 60.0° |
| O1 | C6 | C7 | H15 | 58.0° | 60.0° |
| O1 | C6 | C7 | H16 | 178.0° | 180.0° |
| O1 | C6 | C7 | H17 | 62.0° | 60.0° |
| C19 | C24 | C23 | H23 | 180.0° | 179.9° |
| C24 | C19 | C20 | C21 | 1.1° | 0.5° |
| C19 | C24 | C23 | C22 | 1.0° | 0.0° |
| C24 | C19 | C18 | H22 | 30.2° | 18.5° |
| C19 | C24 | C23 | H24 | 179.0° | 180.0° |
| C24 | C19 | C20 | H26 | 178.8° | 179.7° |
| C20 | C19 | C24 | C23 | 1.9° | 0.2° |
| C19 | C20 | C21 | H26 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 0.5° | 0.5° |
| C20 | C19 | C18 | H22 | 157.3° | 161.7° |
| C20 | C19 | C24 | H23 | 178.1° | 179.7° |
| C19 | C20 | C21 | H25 | 179.5° | 179.8° |
| C24 | C23 | C22 | H24 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.7° | 0.0° |
| C24 | C23 | C22 | CL1 | 175.9° | 180.0° |
| C13 | C14 | C15 | H32 | 180.0° | 179.8° |
| C13 | C14 | C15 | CL | 179.1° | 179.7° |
| C14 | C15 | C16 | H31 | 179.7° | 180.0° |
| C15 | C14 | C13 | H33 | 177.7° | 179.7° |
| CL | C15 | C16 | H31 | 0.3° | 0.0° |
| CL | C15 | C14 | H32 | 0.9° | 0.1° |
| C7 | C6 | C8 | H12 | 58.4° | 60.0° |
| C7 | C6 | C8 | H13 | 178.4° | 60.0° |
| C7 | C6 | C8 | H14 | 61.6° | 180.0° |
| C6 | C7 | H15 | H16 | 120.0° | 120.0° |
| C6 | C7 | H15 | H17 | 120.0° | 120.0° |
| C6 | C7 | H16 | H17 | 120.0° | 120.0° |
| C20 | C21 | C22 | C23 | 1.4° | 0.3° |
| C20 | C21 | C22 | H25 | 180.0° | 179.7° |
| C20 | C21 | C22 | CL1 | 176.7° | 179.7° |
| C23 | C22 | C21 | CL1 | 175.3° | 180.0° |
| C22 | C23 | C24 | H23 | 179.0° | 180.0° |
| C23 | C22 | C21 | H25 | 178.6° | 180.0° |
| C21 | C22 | C23 | H24 | 179.3° | 179.9° |
| C22 | C21 | C20 | H26 | 179.5° | 179.7° |
| CL1 | C22 | C23 | H24 | 4.0° | 0.0° |
| CL1 | C22 | C21 | H25 | 3.3° | 0.0° |
| H3 | N3 | C27 | H4 | 39.7° | 81.6° |
| H3 | N3 | C27 | H5 | 79.1° | 37.7° |
| H4 | C27 | C26 | H6 | 71.5° | 166.9° |
| H4 | C27 | C26 | H7 | 49.2° | 46.1° |
| H5 | C27 | C26 | H6 | 47.1° | 47.5° |
| H5 | C27 | C26 | H7 | 167.8° | 73.3° |
| H9 | C3 | C2 | H10 | 1.2° | 0.0° |
| H11 | C6 | C8 | H12 | 61.3° | 180.0° |
| H11 | C6 | C8 | H13 | 58.8° | 60.0° |
| H11 | C6 | C8 | H14 | 178.7° | 60.0° |
| H11 | C6 | C7 | H15 | 60.4° | 60.0° |
| H11 | C6 | C7 | H16 | 59.6° | 60.0° |
| H11 | C6 | C7 | H17 | 179.6° | NaN° |
| H12 | C8 | H13 | H14 | 120.0° | 120.0° |
| H15 | C7 | H16 | H17 | 120.0° | 120.0° |
| H19 | C | H20 | H21 | 120.0° | 120.0° |
| H22 | C18 | C11 | H27 | 25.7° | 0.2° |
| H23 | C24 | C23 | H24 | 1.0° | 0.1° |
| H25 | C21 | C20 | H26 | 0.5° | 0.0° |
| H30 | C17 | C16 | H31 | 0.3° | 0.0° |
| H32 | C14 | C13 | H33 | 2.2° | 0.1° |
