9R0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | sing | 1.55Å | 1.51Å | |
| C19 | N2 | sing | 1.49Å | 1.45Å | |
| C20 | C16 | sing | 1.53Å | 1.53Å | |
| CL2 | C4 | sing | 1.74Å | 1.72Å | |
| C24 | C22 | doub | 1.41Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.36Å | 1.39Å | Aromatic |
| N3 | C22 | sing | 1.34Å | 1.39Å | Aromatic |
| N3 | C21 | doub | 1.29Å | 1.29Å | Aromatic |
| N2 | C21 | sing | 1.38Å | 1.34Å | |
| N2 | C18 | sing | 1.49Å | 1.45Å | |
| C22 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | C18 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.54Å | 1.52Å | |
| C21 | S1 | sing | 1.76Å | 1.75Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C17 | sing | 1.54Å | 1.53Å | |
| C14 | O2 | sing | 1.43Å | 1.40Å | |
| C6 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C23 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C28 | sing | 1.47Å | 1.49Å | |
| C3 | C7 | sing | 1.48Å | 1.47Å | |
| C3 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| O4 | C28 | doub | 1.22Å | 1.28Å | |
| O2 | C13 | sing | 1.43Å | 1.41Å | |
| C7 | N1 | doub | 1.31Å | 1.31Å | Aromatic |
| C7 | C9 | sing | 1.42Å | 1.38Å | Aromatic |
| C13 | C9 | sing | 1.51Å | 1.48Å | |
| N1 | O1 | sing | 1.21Å | 1.42Å | Aromatic |
| C9 | C8 | doub | 1.35Å | 1.33Å | Aromatic |
| O1 | C8 | sing | 1.34Å | 1.34Å | Aromatic |
| C8 | C10 | sing | 1.51Å | 1.46Å | |
| C28 | O3 | sing | 1.35Å | 1.26Å | |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.53Å | 1.49Å | |
| C10 | C11 | sing | 1.53Å | 1.49Å | |
| C2 | CL1 | sing | 1.74Å | 1.73Å | |
| C12 | C11 | sing | 1.53Å | 1.48Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| O3 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | N2 | 104.2° | 104.6° |
| C19 | C20 | C16 | 103.2° | 104.7° |
| C20 | C19 | H18 | 110.8° | 110.4° |
| C20 | C19 | H19 | 110.7° | 110.4° |
| C19 | C20 | H20 | 111.0° | 110.4° |
| C19 | C20 | H21 | 111.0° | 110.4° |
| C19 | N2 | C21 | 120.6° | 111.0° |
| C19 | N2 | C18 | 113.2° | 104.4° |
| N2 | C19 | H18 | 110.8° | 110.4° |
| N2 | C19 | H19 | 110.8° | 110.4° |
| C20 | C16 | C15 | 116.4° | 115.6° |
| C20 | C16 | C17 | 115.5° | 115.6° |
| C20 | C16 | C18 | 103.6° | 106.1° |
| C16 | C20 | H20 | 111.0° | 110.4° |
| C16 | C20 | H21 | 111.0° | 110.4° |
| CL2 | C4 | C5 | 119.2° | 120.1° |
| CL2 | C4 | C3 | 118.8° | 120.0° |
| C22 | C24 | C25 | 119.0° | 120.8° |
| C24 | C22 | N3 | 125.4° | 128.5° |
| C24 | C22 | C23 | 119.1° | 118.6° |
| C22 | C24 | H22 | 120.5° | 119.6° |
| C24 | C25 | C26 | 121.8° | 120.6° |
| C25 | C24 | H22 | 120.5° | 119.6° |
| C24 | C25 | H23 | 119.1° | 119.7° |
| C22 | N3 | C21 | 109.5° | 117.9° |
| N3 | C22 | C23 | 115.4° | 112.8° |
| N3 | C21 | N2 | 121.8° | 124.8° |
| N3 | C21 | S1 | 116.6° | 110.4° |
| C21 | N2 | C18 | 126.1° | 111.0° |
| N2 | C21 | S1 | 121.6° | 124.8° |
| N2 | C18 | C16 | 101.5° | 104.4° |
| N2 | C18 | H16 | 111.5° | 110.5° |
| N2 | C18 | H17 | 111.4° | 110.6° |
| C22 | C23 | S1 | 109.2° | 108.4° |
| C22 | C23 | C27 | 121.9° | 120.5° |
| C15 | C16 | C17 | 88.1° | 88.1° |
| C15 | C16 | C18 | 118.3° | 115.6° |
| C16 | C15 | C14 | 90.4° | 86.8° |
| C16 | C15 | H12 | 114.0° | 113.7° |
| C16 | C15 | H13 | 114.0° | 113.7° |
| C17 | C16 | C18 | 115.3° | 115.6° |
| C16 | C17 | C14 | 90.3° | 86.8° |
| C16 | C17 | H14 | 114.0° | 113.6° |
| C16 | C17 | H15 | 114.0° | 113.7° |
| C16 | C18 | H16 | 111.4° | 110.4° |
| C16 | C18 | H17 | 111.4° | 110.4° |
| C4 | C5 | C6 | 119.2° | 120.1° |
| C5 | C4 | C3 | 122.0° | 119.9° |
| C4 | C5 | H2 | 120.4° | 119.9° |
| C5 | C6 | C1 | 120.4° | 120.3° |
| C6 | C5 | H2 | 120.4° | 120.0° |
| C5 | C6 | H3 | 119.8° | 119.8° |
| C25 | C26 | C27 | 119.5° | 119.6° |
| C25 | C26 | C28 | 121.4° | 120.2° |
| C26 | C25 | H23 | 119.1° | 119.7° |
| C15 | C14 | C17 | 90.4° | 87.3° |
| C15 | C14 | O2 | 115.5° | 113.6° |
| C15 | C14 | H11 | 111.2° | 113.6° |
| C14 | C15 | H12 | 114.0° | 113.7° |
| C14 | C15 | H13 | 114.0° | 113.7° |
| C21 | S1 | C23 | 88.7° | 90.4° |
| C4 | C3 | C7 | 122.0° | 120.1° |
| C4 | C3 | C2 | 117.3° | 119.7° |
| C17 | C14 | O2 | 113.6° | 113.6° |
| C17 | C14 | H11 | 111.1° | 113.6° |
| C14 | C17 | H14 | 114.0° | 113.6° |
| C14 | C17 | H15 | 114.0° | 113.7° |
| C14 | O2 | C13 | 119.2° | 114.0° |
| O2 | C14 | H11 | 113.1° | 112.8° |
| C6 | C1 | C2 | 118.9° | 120.2° |
| C6 | C1 | H1 | 120.5° | 119.9° |
| C1 | C6 | H3 | 119.8° | 119.9° |
| S1 | C23 | C27 | 128.9° | 131.1° |
| C23 | C27 | C26 | 118.6° | 120.0° |
| C23 | C27 | H24 | 120.7° | 120.1° |
| C27 | C26 | C28 | 119.1° | 120.2° |
| C26 | C27 | H24 | 120.7° | 120.0° |
| C26 | C28 | O4 | 117.9° | 120.0° |
| C26 | C28 | O3 | 116.6° | 120.0° |
| C7 | C3 | C2 | 120.7° | 120.1° |
| C3 | C7 | N1 | 118.9° | 127.0° |
| C3 | C7 | C9 | 132.6° | 126.9° |
| C3 | C2 | C1 | 122.2° | 119.8° |
| C3 | C2 | CL1 | 118.5° | 120.1° |
| O4 | C28 | O3 | 125.4° | 120.0° |
| O2 | C13 | C9 | 116.6° | 109.5° |
| O2 | C13 | H9 | 107.6° | 109.4° |
| O2 | C13 | H10 | 107.7° | 109.5° |
| N1 | C7 | C9 | 108.4° | 106.1° |
| C7 | N1 | O1 | 106.8° | 111.4° |
| C7 | C9 | C13 | 130.1° | 128.0° |
| C7 | C9 | C8 | 109.0° | 103.9° |
| C13 | C9 | C8 | 120.9° | 128.0° |
| C9 | C13 | H9 | 107.7° | 109.5° |
| C9 | C13 | H10 | 107.7° | 109.5° |
| N1 | O1 | C8 | 107.7° | 111.9° |
| C9 | C8 | O1 | 108.0° | 106.7° |
| C9 | C8 | C10 | 134.8° | 126.6° |
| O1 | C8 | C10 | 117.1° | 126.7° |
| C8 | C10 | C12 | 118.9° | 117.5° |
| C8 | C10 | C11 | 119.2° | 117.5° |
| C8 | C10 | H4 | 116.2° | 115.6° |
| C28 | O3 | H25 | 109.5° | 117.1° |
| C1 | C2 | CL1 | 119.2° | 120.1° |
| C2 | C1 | H1 | 120.6° | 119.9° |
| C12 | C10 | C11 | 59.4° | 60.0° |
| C10 | C12 | C11 | 60.3° | 60.0° |
| C12 | C10 | H4 | 115.6° | 117.5° |
| C10 | C12 | H7 | 120.0° | 117.5° |
| C10 | C12 | H8 | 120.0° | 117.5° |
| C10 | C11 | C12 | 60.3° | 60.0° |
| C11 | C10 | H4 | 115.6° | 117.5° |
| C10 | C11 | H5 | 120.0° | 117.5° |
| C10 | C11 | H6 | 120.0° | 117.5° |
| C12 | C11 | H5 | 120.0° | 117.5° |
| C12 | C11 | H6 | 120.0° | 117.5° |
| C11 | C12 | H7 | 120.0° | 117.5° |
| C11 | C12 | H8 | 120.0° | 117.5° |
| H5 | C11 | H6 | 109.4° | 115.6° |
| H7 | C12 | H8 | 109.4° | 115.6° |
| H9 | C13 | H10 | 109.4° | 109.5° |
| H12 | C15 | H13 | 109.5° | 112.8° |
| H14 | C17 | H15 | 109.5° | 113.0° |
| H16 | C18 | H17 | 109.5° | 110.4° |
| H18 | C19 | H19 | 109.5° | 110.4° |
| H20 | C20 | H21 | 109.4° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | N2 | H18 | 119.2° | 118.8° |
| C20 | C19 | N2 | H19 | 119.1° | 118.8° |
| C19 | C20 | C16 | H20 | 119.0° | 118.8° |
| C19 | C20 | C16 | H21 | 119.0° | 118.8° |
| C20 | C19 | N2 | C21 | 175.0° | 158.6° |
| C20 | C19 | N2 | C18 | 2.0° | 38.9° |
| C19 | C20 | C16 | C15 | 94.6° | 129.8° |
| C19 | C20 | C16 | C17 | 164.1° | 129.3° |
| C19 | C20 | C16 | C18 | 37.0° | 0.3° |
| C20 | C19 | H18 | H19 | 122.4° | 122.4° |
| C19 | C20 | H20 | H21 | 122.9° | 122.3° |
| N2 | C19 | C20 | C16 | 24.0° | 23.7° |
| C19 | N2 | C21 | N3 | 15.2° | 115.3° |
| C19 | N2 | C21 | C18 | 176.6° | 115.6° |
| C19 | N2 | C18 | C16 | 21.0° | 38.6° |
| C19 | N2 | C21 | S1 | 167.2° | 64.4° |
| C19 | N2 | C18 | H16 | 97.7° | 157.3° |
| C19 | N2 | C18 | H17 | 139.7° | 80.2° |
| N2 | C19 | H18 | H19 | 122.4° | 122.4° |
| N2 | C19 | C20 | H20 | 143.0° | 142.5° |
| N2 | C19 | C20 | H21 | 95.0° | 95.1° |
| C20 | C16 | C18 | N2 | 35.0° | 23.2° |
| C20 | C16 | C15 | C17 | 117.7° | 117.6° |
| C20 | C16 | C15 | C18 | 124.4° | 124.7° |
| C20 | C16 | C17 | C18 | 120.9° | 124.8° |
| C20 | C16 | C15 | C14 | 111.3° | 142.6° |
| C20 | C16 | C17 | C14 | 112.1° | 142.6° |
| C20 | C16 | C15 | H12 | 132.0° | 28.0° |
| C20 | C16 | C15 | H13 | 5.3° | 102.9° |
| C20 | C16 | C17 | H14 | 4.5° | 103.0° |
| C20 | C16 | C17 | H15 | 131.3° | 28.0° |
| C20 | C16 | C18 | H16 | 83.7° | 141.9° |
| C20 | C16 | C18 | H17 | 153.7° | 95.7° |
| C16 | C20 | C19 | H18 | 143.2° | 142.5° |
| C16 | C20 | C19 | H19 | 95.2° | 95.1° |
| C16 | C20 | H20 | H21 | 122.9° | 122.4° |
| CL2 | C4 | C5 | C3 | 178.8° | 180.0° |
| CL2 | C4 | C5 | C6 | 179.6° | 179.8° |
| CL2 | C4 | C3 | C7 | 0.2° | 0.1° |
| CL2 | C4 | C3 | C2 | 179.2° | 179.9° |
| CL2 | C4 | C5 | H2 | 0.4° | 0.0° |
| C22 | C24 | C25 | H22 | 180.0° | 179.9° |
| C24 | C22 | N3 | C23 | 178.5° | 180.0° |
| C24 | C22 | N3 | C21 | 175.6° | 180.0° |
| C22 | C24 | C25 | C26 | 0.2° | 0.1° |
| C24 | C22 | C23 | S1 | 179.2° | 179.8° |
| C24 | C22 | C23 | C27 | 0.6° | 0.0° |
| C22 | C24 | C25 | H23 | 179.8° | 180.0° |
| C25 | C24 | C22 | N3 | 178.8° | 179.9° |
| C25 | C24 | C22 | C23 | 0.4° | 0.1° |
| C24 | C25 | C26 | H23 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.6° | 0.0° |
| C24 | C25 | C26 | C28 | 178.8° | 179.9° |
| C22 | N3 | C21 | N2 | 168.9° | 180.0° |
| C22 | N3 | C21 | S1 | 8.8° | 0.3° |
| N3 | C22 | C23 | S1 | 0.6° | 0.2° |
| N3 | C22 | C23 | C27 | 179.1° | 180.0° |
| N3 | C22 | C24 | H22 | 1.2° | 0.0° |
| N3 | C21 | N2 | S1 | 177.6° | 179.7° |
| N3 | C21 | N2 | C18 | 161.3° | 0.3° |
| C21 | N3 | C22 | C23 | 6.0° | 0.1° |
| N3 | C21 | S1 | C23 | 7.4° | 0.3° |
| C21 | N2 | C18 | C16 | 162.2° | 158.3° |
| N2 | C21 | S1 | C23 | 170.3° | 180.0° |
| C21 | N2 | C18 | H16 | 79.1° | 83.0° |
| C21 | N2 | C18 | H17 | 43.6° | 39.5° |
| C21 | N2 | C19 | H18 | 55.8° | 82.6° |
| C21 | N2 | C19 | H19 | 65.8° | 39.8° |
| N2 | C18 | C16 | C15 | 95.5° | 106.4° |
| N2 | C18 | C16 | C17 | 162.2° | 152.8° |
| N2 | C18 | C16 | H16 | 118.7° | 118.8° |
| N2 | C18 | C16 | H17 | 118.7° | 118.9° |
| C18 | N2 | C21 | S1 | 16.3° | 180.0° |
| N2 | C18 | H16 | H17 | 123.7° | 122.6° |
| C18 | N2 | C19 | H18 | 121.2° | 157.7° |
| C18 | N2 | C19 | H19 | 117.2° | 79.9° |
| C22 | C23 | S1 | C21 | 3.4° | 0.3° |
| C22 | C23 | S1 | C27 | 179.7° | 179.7° |
| C22 | C23 | C27 | C26 | 0.1° | 0.0° |
| C23 | C22 | C24 | H22 | 179.6° | 180.0° |
| C22 | C23 | C27 | H24 | 179.9° | 180.0° |
| C15 | C16 | C17 | C18 | 120.6° | 117.6° |
| C16 | C15 | C14 | H12 | 116.6° | 114.5° |
| C16 | C15 | C14 | H13 | 116.7° | 114.6° |
| C15 | C16 | C17 | C14 | 6.4° | 24.9° |
| C16 | C15 | C14 | O2 | 123.0° | 89.9° |
| C16 | C15 | C14 | H11 | 106.4° | 139.3° |
| C16 | C15 | H12 | H13 | 129.0° | 131.4° |
| C15 | C16 | C17 | H14 | 123.0° | 139.3° |
| C15 | C16 | C17 | H15 | 110.3° | 89.6° |
| C15 | C16 | C18 | H16 | 145.8° | 12.4° |
| C15 | C16 | C18 | H17 | 23.2° | 134.7° |
| C15 | C16 | C20 | H20 | 24.4° | 111.4° |
| C15 | C16 | C20 | H21 | 146.4° | 11.0° |
| C16 | C17 | C14 | H14 | 116.6° | 114.4° |
| C16 | C17 | C14 | H15 | 116.6° | 114.5° |
| C16 | C17 | C14 | O2 | 124.7° | 89.9° |
| C16 | C17 | C14 | H11 | 106.5° | 139.4° |
| C17 | C16 | C15 | H12 | 110.3° | 89.6° |
| C17 | C16 | C15 | H13 | 123.0° | 139.4° |
| C16 | C17 | H14 | H15 | 129.1° | 131.4° |
| C17 | C16 | C18 | H16 | 43.5° | 88.5° |
| C17 | C16 | C18 | H17 | 79.1° | 33.9° |
| C17 | C16 | C20 | H20 | 76.9° | 10.5° |
| C17 | C16 | C20 | H21 | 45.1° | 111.9° |
| C18 | C16 | C15 | C14 | 124.3° | 92.7° |
| C18 | C16 | C17 | C14 | 127.0° | 92.7° |
| C18 | C16 | C15 | H12 | 7.6° | 152.8° |
| C18 | C16 | C15 | H13 | 119.1° | 21.8° |
| C18 | C16 | C17 | H14 | 116.4° | 21.7° |
| C18 | C16 | C17 | H15 | 10.4° | 152.8° |
| C16 | C18 | H16 | H17 | 123.7° | 122.4° |
| C18 | C16 | C20 | H20 | 156.0° | 119.1° |
| C18 | C16 | C20 | H21 | 82.0° | 118.5° |
| C4 | C5 | C6 | H2 | 180.0° | 179.8° |
| C4 | C5 | C6 | C1 | 0.2° | 0.5° |
| C5 | C4 | C3 | C7 | 179.0° | 179.9° |
| C5 | C4 | C3 | C2 | 2.0° | 0.1° |
| C4 | C5 | C6 | H3 | 179.8° | 180.0° |
| C6 | C5 | C4 | C3 | 0.8° | 0.2° |
| C5 | C6 | C1 | H3 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 0.0° | 0.5° |
| C5 | C6 | C1 | H1 | 180.0° | 179.8° |
| C25 | C26 | C27 | C23 | 0.5° | 0.0° |
| C25 | C26 | C27 | C28 | 178.3° | 179.9° |
| C25 | C26 | C28 | O4 | 0.4° | 180.0° |
| C25 | C26 | C28 | O3 | 176.6° | 0.0° |
| C26 | C25 | C24 | H22 | 179.8° | 180.0° |
| C25 | C26 | C27 | H24 | 179.5° | 180.0° |
| C15 | C14 | C17 | O2 | 118.2° | 114.6° |
| C15 | C14 | C17 | H11 | 113.0° | 114.6° |
| C15 | C14 | O2 | H11 | 129.7° | 131.2° |
| C15 | C14 | O2 | C13 | 92.3° | 112.3° |
| C14 | C15 | H12 | H13 | 129.0° | 131.4° |
| C15 | C14 | C17 | H14 | 123.1° | 139.1° |
| C15 | C14 | C17 | H15 | 110.1° | 89.8° |
| C21 | S1 | C23 | C27 | 176.9° | 180.0° |
| C4 | C3 | C7 | C2 | 178.9° | 179.8° |
| C4 | C3 | C7 | N1 | 78.3° | 58.7° |
| C4 | C3 | C7 | C9 | 104.4° | 121.5° |
| C4 | C3 | C2 | C1 | 2.3° | 0.1° |
| C4 | C3 | C2 | CL1 | 178.7° | 180.0° |
| C3 | C4 | C5 | H2 | 179.2° | 180.0° |
| C17 | C14 | O2 | H11 | 127.8° | 131.1° |
| C17 | C14 | O2 | C13 | 165.1° | 150.0° |
| C17 | C14 | C15 | H12 | 110.1° | 89.8° |
| C17 | C14 | C15 | H13 | 123.2° | 139.3° |
| C14 | C17 | H14 | H15 | 129.1° | 131.5° |
| C14 | O2 | C13 | C9 | 102.9° | 180.0° |
| C14 | O2 | C13 | H9 | 136.0° | 60.0° |
| C14 | O2 | C13 | H10 | 18.1° | 59.9° |
| O2 | C14 | C15 | H12 | 6.4° | 155.6° |
| O2 | C14 | C15 | H13 | 120.3° | 24.7° |
| O2 | C14 | C17 | H14 | 118.7° | 24.5° |
| O2 | C14 | C17 | H15 | 8.1° | 155.6° |
| C6 | C1 | C2 | C3 | 1.4° | 0.2° |
| C6 | C1 | C2 | H1 | 180.0° | 179.6° |
| C6 | C1 | C2 | CL1 | 179.7° | 179.7° |
| C1 | C6 | C5 | H2 | 179.8° | 179.7° |
| S1 | C23 | C27 | C26 | 179.6° | 179.7° |
| S1 | C23 | C27 | H24 | 0.4° | 0.2° |
| C23 | C27 | C26 | H24 | 180.0° | 179.9° |
| C23 | C27 | C26 | C28 | 178.7° | 180.0° |
| C27 | C26 | C28 | O4 | 178.7° | 0.0° |
| C27 | C26 | C28 | O3 | 1.6° | 179.9° |
| C27 | C26 | C25 | H23 | 179.4° | 180.0° |
| C26 | C28 | O4 | O3 | 176.7° | 180.0° |
| C28 | C26 | C25 | H23 | 1.2° | 0.0° |
| C28 | C26 | C27 | H24 | 1.2° | 0.1° |
| C26 | C28 | O3 | H25 | 176.8° | 180.0° |
| C3 | C7 | N1 | C9 | 177.9° | 179.8° |
| C3 | C7 | C9 | C13 | 5.5° | 0.1° |
| C3 | C7 | N1 | O1 | 178.7° | 180.0° |
| C3 | C7 | C9 | C8 | 177.9° | 179.8° |
| C7 | C3 | C2 | C1 | 178.7° | 179.9° |
| C7 | C3 | C2 | CL1 | 0.2° | 0.1° |
| C2 | C3 | C7 | N1 | 100.6° | 121.2° |
| C2 | C3 | C7 | C9 | 76.7° | 58.6° |
| C3 | C2 | C1 | CL1 | 178.9° | 179.9° |
| C3 | C2 | C1 | H1 | 178.6° | 179.9° |
| O4 | C28 | O3 | H25 | 0.0° | 0.0° |
| O2 | C13 | C9 | C7 | 12.5° | 96.0° |
| O2 | C13 | C9 | H9 | 121.0° | 120.0° |
| O2 | C13 | C9 | H10 | 121.1° | 120.0° |
| O2 | C13 | C9 | C8 | 171.2° | 83.9° |
| O2 | C13 | H9 | H10 | 116.7° | 120.0° |
| C13 | O2 | C14 | H11 | 37.4° | 18.9° |
| N1 | C7 | C9 | C13 | 177.0° | 179.7° |
| N1 | C7 | C9 | C8 | 0.4° | 0.4° |
| C7 | N1 | O1 | C8 | 1.0° | 0.0° |
| C7 | C9 | C13 | C8 | 176.3° | 179.9° |
| C9 | C7 | N1 | O1 | 0.8° | 0.2° |
| C7 | C9 | C8 | O1 | 0.2° | 0.4° |
| C7 | C9 | C8 | C10 | 177.8° | 179.9° |
| C7 | C9 | C13 | H9 | 133.6° | 144.1° |
| C7 | C9 | C13 | H10 | 108.5° | 24.1° |
| C13 | C9 | C8 | O1 | 176.7° | 179.7° |
| C13 | C9 | C8 | C10 | 0.8° | 0.0° |
| C9 | C13 | H9 | H10 | 116.8° | 120.0° |
| N1 | O1 | C8 | C9 | 0.7° | 0.3° |
| N1 | O1 | C8 | C10 | 178.8° | 180.0° |
| C9 | C8 | O1 | C10 | 178.0° | 179.7° |
| C9 | C8 | C10 | C12 | 168.6° | 120.3° |
| C9 | C8 | C10 | C11 | 99.6° | 171.1° |
| C9 | C8 | C10 | H4 | 46.1° | 25.3° |
| C8 | C9 | C13 | H9 | 50.2° | 36.0° |
| C8 | C9 | C13 | H10 | 67.7° | 156.1° |
| O1 | C8 | C10 | C12 | 14.0° | 60.0° |
| O1 | C8 | C10 | C11 | 83.1° | 8.6° |
| O1 | C8 | C10 | H4 | 131.2° | 154.4° |
| C8 | C10 | C12 | C11 | 108.7° | 107.5° |
| C8 | C10 | C12 | H4 | 145.5° | 145.0° |
| C8 | C10 | C11 | H4 | 145.8° | 145.1° |
| C8 | C10 | C11 | H5 | 1.3° | 0.0° |
| C8 | C10 | C11 | H6 | 142.2° | 145.1° |
| C8 | C10 | C12 | H7 | 141.8° | 145.0° |
| C8 | C10 | C12 | H8 | 0.9° | 0.0° |
| C2 | C1 | C6 | H3 | 179.9° | 180.0° |
| C12 | C10 | C11 | H4 | 105.9° | 107.5° |
| C10 | C12 | C11 | H7 | 109.6° | 107.5° |
| C10 | C12 | C11 | H8 | 109.6° | 107.5° |
| C12 | C10 | C11 | H5 | 109.6° | 107.5° |
| C12 | C10 | C11 | H6 | 109.6° | 107.5° |
| C10 | C12 | H7 | H8 | 144.6° | 145.7° |
| C10 | C11 | H5 | H6 | 144.6° | 145.7° |
| CL1 | C2 | C1 | H1 | 0.3° | 0.1° |
| C12 | C11 | H5 | H6 | 144.6° | 145.6° |
| C11 | C12 | H7 | H8 | 144.6° | 145.7° |
| H1 | C1 | C6 | H3 | 0.1° | 0.3° |
| H2 | C5 | C6 | H3 | 0.2° | 0.2° |
| H4 | C10 | C11 | H5 | 144.5° | 145.1° |
| H4 | C10 | C11 | H6 | 3.7° | 0.0° |
| H4 | C10 | C12 | H7 | 3.7° | 0.0° |
| H4 | C10 | C12 | H8 | 144.6° | 145.0° |
| H5 | C11 | C12 | H7 | 140.9° | 145.0° |
| H5 | C11 | C12 | H8 | 0.0° | 0.0° |
| H6 | C11 | C12 | H7 | 0.0° | 0.0° |
| H6 | C11 | C12 | H8 | 140.9° | 145.0° |
| H11 | C14 | C15 | H12 | 137.0° | 24.8° |
| H11 | C14 | C15 | H13 | 10.3° | 106.1° |
| H11 | C14 | C17 | H14 | 10.2° | 106.2° |
| H11 | C14 | C17 | H15 | 136.9° | 24.9° |
| H18 | C19 | C20 | H20 | 97.8° | 98.7° |
| H18 | C19 | C20 | H21 | 24.2° | 23.7° |
| H19 | C19 | C20 | H20 | 23.9° | 23.7° |
| H19 | C19 | C20 | H21 | 145.8° | 146.1° |
| H22 | C24 | C25 | H23 | 0.2° | 0.1° |
