9MD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| N9 | C5 | sing | 1.36Å | 1.40Å | Aromatic |
| N9 | C8 | doub | 1.31Å | 1.32Å | Aromatic |
| F32 | C1 | sing | 1.35Å | 1.35Å | |
| CL34 | C29 | sing | 1.74Å | 1.74Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C29 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C8 | sing | 1.48Å | 1.47Å | |
| C10 | C30 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C8 | N7 | sing | 1.37Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C26 | C16 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C16 | sing | 1.53Å | 1.54Å | |
| C6 | N7 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | CL33 | sing | 1.74Å | 1.72Å | |
| N7 | C11 | sing | 1.47Å | 1.50Å | |
| C16 | N15 | sing | 1.47Å | 1.44Å | |
| N15 | C12 | sing | 1.35Å | 1.33Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | O14 | doub | 1.21Å | 1.23Å | |
| O17 | C13 | sing | 1.43Å | 1.43Å | |
| O17 | C18 | sing | 1.43Å | 1.48Å | |
| C13 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.56Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| N15 | H19 | sing | 0.97Å | 1.00Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C28 | C29 | 119.1° | 120.2° |
| C28 | C27 | C10 | 121.4° | 119.8° |
| C27 | C28 | H13 | 120.4° | 119.9° |
| C28 | C27 | H26 | 119.3° | 120.1° |
| C28 | C29 | CL34 | 118.4° | 119.9° |
| C28 | C29 | C31 | 121.6° | 120.3° |
| C29 | C28 | H13 | 120.5° | 120.0° |
| C5 | C4 | C1 | 117.2° | 119.8° |
| C4 | C5 | N9 | 130.4° | 133.3° |
| C4 | C5 | C6 | 119.5° | 119.5° |
| C5 | C4 | H1 | 121.4° | 120.1° |
| C4 | C1 | F32 | 119.1° | 119.8° |
| C4 | C1 | C2 | 122.4° | 120.5° |
| C1 | C4 | H1 | 121.4° | 120.1° |
| C27 | C10 | C8 | 110.4° | 120.1° |
| C27 | C10 | C30 | 118.7° | 119.8° |
| C10 | C27 | H26 | 119.3° | 120.1° |
| C5 | N9 | C8 | 104.8° | 109.6° |
| N9 | C5 | C6 | 110.1° | 107.2° |
| N9 | C8 | C10 | 124.7° | 125.1° |
| N9 | C8 | N7 | 113.0° | 109.8° |
| F32 | C1 | C2 | 118.6° | 119.8° |
| CL34 | C29 | C31 | 120.0° | 119.8° |
| C25 | C24 | C23 | 110.5° | 109.5° |
| C24 | C25 | C26 | 111.1° | 109.5° |
| C25 | C24 | H9 | 109.2° | 109.5° |
| C25 | C24 | H10 | 109.2° | 109.5° |
| C24 | C25 | H23 | 109.1° | 109.5° |
| C24 | C25 | H24 | 109.1° | 109.5° |
| C24 | C23 | C22 | 111.4° | 109.5° |
| C23 | C24 | H9 | 109.2° | 109.5° |
| C23 | C24 | H10 | 109.2° | 109.5° |
| C24 | C23 | H21 | 109.0° | 109.5° |
| C24 | C23 | H22 | 109.0° | 109.4° |
| C29 | C31 | C30 | 119.1° | 120.1° |
| C29 | C31 | H27 | 120.4° | 120.0° |
| C5 | C6 | N7 | 105.2° | 106.2° |
| C5 | C6 | C3 | 123.1° | 120.0° |
| C1 | C2 | C3 | 120.9° | 120.4° |
| C1 | C2 | CL33 | 120.4° | 119.8° |
| C8 | C10 | C30 | 130.8° | 120.1° |
| C10 | C8 | N7 | 122.1° | 125.1° |
| C10 | C30 | C31 | 120.1° | 119.8° |
| C10 | C30 | H28 | 120.0° | 120.1° |
| C25 | C26 | C16 | 111.3° | 109.5° |
| C25 | C26 | H11 | 109.0° | 109.5° |
| C25 | C26 | H12 | 109.0° | 109.4° |
| C26 | C25 | H23 | 109.0° | 109.5° |
| C26 | C25 | H24 | 109.0° | 109.5° |
| C8 | N7 | C6 | 106.8° | 107.2° |
| C8 | N7 | C11 | 124.2° | 126.4° |
| C23 | C22 | C16 | 112.0° | 109.5° |
| C23 | C22 | H7 | 108.8° | 109.5° |
| C23 | C22 | H8 | 108.9° | 109.4° |
| C22 | C23 | H21 | 109.0° | 109.5° |
| C22 | C23 | H22 | 109.0° | 109.5° |
| C26 | C16 | C22 | 111.5° | 109.5° |
| C26 | C16 | N15 | 110.3° | 109.4° |
| C16 | C26 | H11 | 109.0° | 109.5° |
| C16 | C26 | H12 | 109.0° | 109.5° |
| C26 | C16 | H20 | 108.8° | 109.5° |
| C30 | C31 | H27 | 120.4° | 119.9° |
| C31 | C30 | H28 | 120.0° | 120.1° |
| C22 | C16 | N15 | 107.6° | 109.5° |
| C16 | C22 | H7 | 108.8° | 109.5° |
| C16 | C22 | H8 | 108.8° | 109.5° |
| C22 | C16 | H20 | 108.7° | 109.5° |
| N7 | C6 | C3 | 131.7° | 133.8° |
| C6 | N7 | C11 | 129.0° | 126.4° |
| C6 | C3 | C2 | 117.0° | 119.9° |
| C6 | C3 | H25 | 121.5° | 120.1° |
| C3 | C2 | CL33 | 118.8° | 119.8° |
| C2 | C3 | H25 | 121.5° | 120.0° |
| N7 | C11 | C12 | 109.3° | 109.5° |
| N7 | C11 | C13 | 117.0° | 109.5° |
| N7 | C11 | H18 | 104.6° | 109.4° |
| C16 | N15 | C12 | 124.2° | 120.0° |
| C16 | N15 | H19 | 117.9° | 120.0° |
| N15 | C16 | H20 | 109.9° | 109.4° |
| N15 | C12 | C11 | 114.5° | 120.0° |
| N15 | C12 | O14 | 123.7° | 120.0° |
| C12 | N15 | H19 | 117.9° | 120.0° |
| C12 | C11 | C13 | 115.7° | 109.5° |
| C11 | C12 | O14 | 121.8° | 120.0° |
| C12 | C11 | H18 | 104.4° | 109.4° |
| C11 | C13 | O17 | 107.8° | 109.5° |
| C11 | C13 | C21 | 117.3° | 109.5° |
| C11 | C13 | H2 | 106.2° | 109.5° |
| C13 | C11 | H18 | 104.3° | 109.5° |
| C13 | O17 | C18 | 112.2° | 114.1° |
| O17 | C13 | C21 | 111.2° | 109.4° |
| O17 | C13 | H2 | 107.4° | 109.5° |
| O17 | C18 | C19 | 111.5° | 109.4° |
| O17 | C18 | H16 | 109.0° | 109.5° |
| O17 | C18 | H17 | 109.0° | 109.5° |
| C13 | C21 | C20 | 109.4° | 109.1° |
| C21 | C13 | H2 | 106.4° | 109.5° |
| C13 | C21 | H5 | 109.5° | 109.5° |
| C13 | C21 | H6 | 109.5° | 109.5° |
| C21 | C20 | C19 | 111.7° | 109.0° |
| C21 | C20 | H3 | 108.9° | 109.6° |
| C21 | C20 | H4 | 108.9° | 109.6° |
| C20 | C21 | H5 | 109.5° | 109.6° |
| C20 | C21 | H6 | 109.5° | 109.5° |
| C18 | C19 | C20 | 110.7° | 109.1° |
| C18 | C19 | H14 | 109.1° | 109.5° |
| C18 | C19 | H15 | 109.2° | 109.6° |
| C19 | C18 | H16 | 109.0° | 109.5° |
| C19 | C18 | H17 | 109.0° | 109.5° |
| C19 | C20 | H3 | 108.9° | 109.5° |
| C19 | C20 | H4 | 108.9° | 109.6° |
| C20 | C19 | H14 | 109.1° | 109.5° |
| C20 | C19 | H15 | 109.2° | 109.5° |
| H3 | C20 | H4 | 109.5° | 109.5° |
| H5 | C21 | H6 | 109.5° | 109.6° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.4° |
| H11 | C26 | H12 | 109.5° | 109.4° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.4° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C28 | C29 | H13 | 180.0° | 180.0° |
| C28 | C27 | C10 | H26 | 180.0° | 180.0° |
| C27 | C28 | C29 | CL34 | 179.7° | 180.0° |
| C27 | C28 | C29 | C31 | 0.2° | 0.2° |
| C28 | C27 | C10 | C8 | 178.8° | 180.0° |
| C28 | C27 | C10 | C30 | 1.7° | 0.2° |
| C29 | C28 | C27 | C10 | 1.0° | 0.0° |
| C28 | C29 | CL34 | C31 | 179.9° | 179.8° |
| C28 | C29 | C31 | C30 | 0.1° | 0.2° |
| C29 | C28 | C27 | H26 | 179.0° | 180.0° |
| C28 | C29 | C31 | H27 | 179.9° | 180.0° |
| C5 | C4 | C1 | H1 | 180.0° | 179.7° |
| C4 | C5 | N9 | C6 | 180.0° | 180.0° |
| C4 | C5 | N9 | C8 | 179.2° | 179.9° |
| C5 | C4 | C1 | F32 | 179.8° | 180.0° |
| C5 | C4 | C1 | C2 | 0.3° | 0.0° |
| C4 | C5 | C6 | N7 | 179.6° | 180.0° |
| C4 | C5 | C6 | C3 | 0.3° | 0.0° |
| C1 | C4 | C5 | N9 | 180.0° | 179.9° |
| C4 | C1 | F32 | C2 | 179.9° | 179.9° |
| C1 | C4 | C5 | C6 | 0.0° | 0.0° |
| C4 | C1 | C2 | C3 | 0.2° | 0.0° |
| C4 | C1 | C2 | CL33 | 179.9° | 180.0° |
| C27 | C10 | C8 | N9 | 68.5° | 145.8° |
| C27 | C10 | C8 | C30 | 176.7° | 179.8° |
| C27 | C10 | C8 | N7 | 106.4° | 34.1° |
| C27 | C10 | C30 | C31 | 1.6° | 0.3° |
| C10 | C27 | C28 | H13 | 179.0° | 180.0° |
| C27 | C10 | C30 | H28 | 178.4° | 179.7° |
| C5 | N9 | C8 | C10 | 176.3° | 179.9° |
| C5 | N9 | C8 | N7 | 1.0° | 0.0° |
| N9 | C5 | C6 | N7 | 0.4° | 0.0° |
| N9 | C5 | C6 | C3 | 179.7° | 179.9° |
| N9 | C5 | C4 | H1 | 0.0° | 0.4° |
| C8 | N9 | C5 | C6 | 0.9° | 0.0° |
| N9 | C8 | C10 | N7 | 174.9° | 179.9° |
| N9 | C8 | C10 | C30 | 114.8° | 34.4° |
| N9 | C8 | N7 | C6 | 0.8° | 0.0° |
| N9 | C8 | N7 | C11 | 177.6° | 180.0° |
| F32 | C1 | C2 | C3 | 179.9° | 180.0° |
| F32 | C1 | C2 | CL33 | 0.0° | 0.1° |
| F32 | C1 | C4 | H1 | 0.2° | 0.3° |
| CL34 | C29 | C31 | C30 | 179.8° | 180.0° |
| CL34 | C29 | C28 | H13 | 0.3° | 0.0° |
| CL34 | C29 | C31 | H27 | 0.2° | 0.2° |
| C25 | C24 | C23 | H9 | 120.2° | 120.0° |
| C25 | C24 | C23 | H10 | 120.1° | 120.0° |
| C24 | C25 | C26 | H23 | 120.3° | 120.1° |
| C24 | C25 | C26 | H24 | 120.2° | 120.0° |
| C25 | C24 | C23 | C22 | 57.3° | 60.0° |
| C24 | C25 | C26 | C16 | 55.0° | 59.9° |
| C25 | C24 | H9 | H10 | 119.5° | 120.0° |
| C24 | C25 | C26 | H11 | 65.4° | 180.0° |
| C24 | C25 | C26 | H12 | 175.2° | 60.0° |
| C25 | C24 | C23 | H21 | 62.9° | 180.0° |
| C25 | C24 | C23 | H22 | 177.6° | 60.0° |
| C24 | C25 | H23 | H24 | 119.3° | 120.0° |
| C23 | C24 | C25 | C26 | 57.0° | 60.0° |
| C24 | C23 | C22 | H21 | 120.3° | 120.0° |
| C24 | C23 | C22 | H22 | 120.3° | 120.0° |
| C24 | C23 | C22 | C16 | 55.7° | 60.0° |
| C24 | C23 | C22 | H7 | 176.1° | 60.0° |
| C24 | C23 | C22 | H8 | 64.7° | 180.0° |
| C23 | C24 | H9 | H10 | 119.6° | 120.0° |
| C24 | C23 | H21 | H22 | 119.1° | 119.9° |
| C23 | C24 | C25 | H23 | 177.3° | 180.0° |
| C23 | C24 | C25 | H24 | 63.2° | 60.1° |
| C29 | C31 | C30 | C10 | 0.8° | 0.1° |
| C29 | C31 | C30 | H27 | 180.0° | 179.8° |
| C31 | C29 | C28 | H13 | 179.8° | 179.8° |
| C29 | C31 | C30 | H28 | 179.2° | 180.0° |
| C5 | C6 | N7 | C8 | 0.2° | 0.0° |
| C5 | C6 | N7 | C3 | 179.9° | 179.9° |
| C5 | C6 | C3 | C2 | 0.4° | 0.0° |
| C5 | C6 | N7 | C11 | 178.1° | 180.0° |
| C6 | C5 | C4 | H1 | 179.9° | 179.7° |
| C5 | C6 | C3 | H25 | 179.6° | 179.9° |
| C1 | C2 | C3 | C6 | 0.1° | 0.0° |
| C1 | C2 | C3 | CL33 | 179.9° | 180.0° |
| C2 | C1 | C4 | H1 | 179.7° | 179.7° |
| C1 | C2 | C3 | H25 | 179.9° | 179.9° |
| C8 | C10 | C30 | C31 | 178.0° | 180.0° |
| C10 | C8 | N7 | C6 | 176.3° | 179.9° |
| C10 | C8 | N7 | C11 | 2.1° | 0.1° |
| C8 | C10 | C27 | H26 | 1.2° | 0.0° |
| C8 | C10 | C30 | H28 | 2.0° | 0.0° |
| C30 | C10 | C8 | N7 | 70.3° | 145.7° |
| C10 | C30 | C31 | H28 | 180.0° | 180.0° |
| C30 | C10 | C27 | H26 | 178.3° | 179.7° |
| C10 | C30 | C31 | H27 | 179.2° | 179.8° |
| C25 | C26 | C16 | H11 | 120.3° | 120.1° |
| C25 | C26 | C16 | H12 | 120.3° | 119.9° |
| C25 | C26 | C16 | C22 | 52.8° | 60.0° |
| C25 | C26 | C16 | N15 | 172.4° | 180.0° |
| C26 | C25 | C24 | H9 | 177.2° | 60.1° |
| C26 | C25 | C24 | H10 | 63.1° | 180.0° |
| C25 | C26 | H11 | H12 | 119.1° | 119.9° |
| C25 | C26 | C16 | H20 | 67.0° | 60.1° |
| C26 | C25 | H23 | H24 | 119.2° | 120.0° |
| C8 | N7 | C6 | C11 | 178.3° | 180.0° |
| C8 | N7 | C6 | C3 | 179.7° | 179.9° |
| C8 | N7 | C11 | C12 | 121.6° | 66.5° |
| C8 | N7 | C11 | C13 | 104.4° | 173.4° |
| C8 | N7 | C11 | H18 | 10.3° | 53.4° |
| C23 | C22 | C16 | C26 | 53.3° | 60.0° |
| C23 | C22 | C16 | H7 | 120.4° | 120.1° |
| C23 | C22 | C16 | H8 | 120.4° | 119.9° |
| C23 | C22 | C16 | N15 | 174.4° | 180.0° |
| C23 | C22 | H7 | H8 | 118.9° | 120.0° |
| C22 | C23 | C24 | H9 | 177.5° | 60.0° |
| C22 | C23 | C24 | H10 | 62.8° | 180.0° |
| C23 | C22 | C16 | H20 | 66.6° | 60.0° |
| C22 | C23 | H21 | H22 | 119.1° | 120.1° |
| C26 | C16 | C22 | N15 | 121.1° | 120.0° |
| C26 | C16 | C22 | H20 | 119.9° | 120.0° |
| C26 | C16 | N15 | H20 | 119.9° | 120.0° |
| C26 | C16 | N15 | C12 | 126.0° | 85.0° |
| C26 | C16 | C22 | H7 | 173.7° | 60.0° |
| C26 | C16 | C22 | H8 | 67.1° | 180.0° |
| C16 | C26 | H11 | H12 | 119.2° | 120.0° |
| C26 | C16 | N15 | H19 | 53.9° | 95.1° |
| C16 | C26 | C25 | H23 | 175.2° | 180.0° |
| C16 | C26 | C25 | H24 | 65.3° | 60.1° |
| C22 | C16 | N15 | H20 | 118.2° | 120.0° |
| C22 | C16 | N15 | C12 | 112.1° | 155.0° |
| C16 | C22 | H7 | H8 | 118.9° | 120.0° |
| C22 | C16 | C26 | H11 | 67.5° | 179.9° |
| C22 | C16 | C26 | H12 | 173.1° | 60.0° |
| C22 | C16 | N15 | H19 | 68.0° | 24.9° |
| C16 | C22 | C23 | H21 | 64.6° | 180.0° |
| C16 | C22 | C23 | H22 | 176.0° | 59.9° |
| N7 | C6 | C3 | C2 | 179.5° | 179.9° |
| C6 | N7 | C11 | C12 | 56.4° | 113.5° |
| C6 | N7 | C11 | C13 | 77.6° | 6.6° |
| C6 | N7 | C11 | H18 | 167.7° | 126.6° |
| N7 | C6 | C3 | H25 | 0.5° | 0.0° |
| C6 | C3 | C2 | H25 | 180.0° | 179.9° |
| C6 | C3 | C2 | CL33 | 179.8° | 180.0° |
| C3 | C6 | N7 | C11 | 2.0° | 0.1° |
| CL33 | C2 | C3 | H25 | 0.3° | 0.1° |
| N7 | C11 | C12 | N15 | 34.9° | 172.7° |
| N7 | C11 | C12 | C13 | 134.7° | 120.1° |
| N7 | C11 | C12 | H18 | 111.4° | 119.9° |
| N7 | C11 | C13 | H18 | 114.9° | 120.0° |
| N7 | C11 | C12 | O14 | 145.4° | 7.4° |
| N7 | C11 | C13 | O17 | 72.8° | 173.3° |
| N7 | C11 | C13 | C21 | 53.6° | 66.8° |
| N7 | C11 | C13 | H2 | 172.3° | 53.2° |
| C16 | N15 | C12 | H19 | 180.0° | 180.0° |
| C16 | N15 | C12 | C11 | 179.5° | 176.1° |
| C16 | N15 | C12 | O14 | 0.3° | 3.9° |
| N15 | C16 | C22 | H7 | 65.2° | 60.0° |
| N15 | C16 | C22 | H8 | 54.0° | 60.0° |
| N15 | C16 | C26 | H11 | 52.1° | 60.0° |
| N15 | C16 | C26 | H12 | 67.4° | 60.0° |
| N15 | C12 | C11 | O14 | 179.8° | 179.9° |
| N15 | C12 | C11 | C13 | 169.5° | 67.3° |
| N15 | C12 | C11 | H18 | 76.5° | 52.7° |
| C12 | N15 | C16 | H20 | 6.1° | 35.0° |
| C12 | C11 | C13 | H18 | 114.0° | 120.0° |
| C12 | C11 | C13 | O17 | 156.1° | 53.2° |
| C12 | C11 | C13 | C21 | 77.5° | 173.2° |
| C12 | C11 | C13 | H2 | 41.2° | 66.8° |
| C11 | C12 | N15 | H19 | 0.5° | 3.9° |
| C13 | C11 | C12 | O14 | 10.7° | 112.7° |
| C11 | C13 | O17 | C21 | 129.9° | 120.0° |
| C11 | C13 | O17 | H2 | 114.1° | 120.0° |
| C11 | C13 | O17 | C18 | 168.2° | 178.8° |
| C11 | C13 | C21 | H2 | 118.7° | 120.0° |
| C11 | C13 | C21 | C20 | 177.2° | 177.6° |
| C11 | C13 | C21 | H5 | 62.8° | 57.7° |
| C11 | C13 | C21 | H6 | 57.3° | 62.5° |
| O14 | C12 | C11 | H18 | 103.3° | 127.3° |
| O14 | C12 | N15 | H19 | 179.7° | 176.0° |
| O17 | C13 | C21 | H2 | 116.7° | 120.0° |
| O17 | C13 | C21 | C20 | 58.1° | 57.6° |
| C13 | O17 | C18 | C19 | 58.4° | 61.2° |
| O17 | C13 | C21 | H5 | 61.9° | 62.3° |
| O17 | C13 | C21 | H6 | 178.1° | 177.5° |
| C13 | O17 | C18 | H16 | 61.9° | 178.9° |
| C13 | O17 | C18 | H17 | 178.7° | 58.8° |
| O17 | C13 | C11 | H18 | 42.1° | 66.7° |
| C18 | O17 | C13 | C21 | 61.9° | 61.2° |
| O17 | C18 | C19 | H16 | 120.3° | 120.0° |
| O17 | C18 | C19 | H17 | 120.3° | 120.0° |
| O17 | C18 | C19 | C20 | 52.0° | 57.6° |
| C18 | O17 | C13 | H2 | 54.1° | 58.8° |
| O17 | C18 | C19 | H14 | 172.1° | 62.3° |
| O17 | C18 | C19 | H15 | 68.2° | 177.5° |
| O17 | C18 | H16 | H17 | 119.1° | 120.1° |
| C13 | C21 | C20 | H5 | 120.0° | 119.9° |
| C13 | C21 | C20 | H6 | 120.0° | 119.8° |
| C13 | C21 | C20 | C19 | 52.8° | 57.0° |
| C13 | C21 | C20 | H3 | 173.1° | 176.9° |
| C13 | C21 | C20 | H4 | 67.5° | 63.0° |
| C13 | C21 | H5 | H6 | 120.1° | 120.1° |
| C21 | C13 | C11 | H18 | 168.5° | 53.2° |
| C21 | C20 | C19 | C18 | 50.1° | 57.0° |
| C21 | C20 | C19 | H3 | 120.3° | 119.9° |
| C21 | C20 | C19 | H4 | 120.3° | 120.0° |
| C20 | C21 | C13 | H2 | 58.6° | 62.3° |
| C21 | C20 | H3 | H4 | 119.0° | 120.2° |
| C20 | C21 | H5 | H6 | 120.0° | 120.2° |
| C21 | C20 | C19 | H14 | 170.3° | 62.9° |
| C21 | C20 | C19 | H15 | 70.1° | 177.0° |
| C18 | C19 | C20 | H14 | 120.2° | 119.9° |
| C18 | C19 | C20 | H15 | 120.2° | 120.0° |
| C18 | C19 | C20 | H3 | 170.5° | 176.9° |
| C18 | C19 | C20 | H4 | 70.2° | 63.0° |
| C18 | C19 | H14 | H15 | 119.4° | 120.2° |
| C19 | C18 | H16 | H17 | 119.1° | 120.0° |
| C19 | C20 | H3 | H4 | 119.0° | 120.2° |
| C19 | C20 | C21 | H5 | 67.2° | 62.9° |
| C19 | C20 | C21 | H6 | 172.8° | 176.9° |
| C20 | C19 | H14 | H15 | 119.4° | 120.1° |
| C20 | C19 | C18 | H16 | 68.3° | 177.6° |
| C20 | C19 | C18 | H17 | 172.3° | 62.4° |
| H2 | C13 | C21 | H5 | 178.6° | 177.7° |
| H2 | C13 | C21 | H6 | 61.4° | 57.5° |
| H2 | C13 | C11 | H18 | 72.8° | 173.2° |
| H3 | C20 | C21 | H5 | 53.1° | 56.9° |
| H3 | C20 | C21 | H6 | 66.9° | 63.3° |
| H3 | C20 | C19 | H14 | 69.3° | 57.0° |
| H3 | C20 | C19 | H15 | 50.3° | 63.2° |
| H4 | C20 | C21 | H5 | 172.5° | 177.1° |
| H4 | C20 | C21 | H6 | 52.5° | 56.9° |
| H4 | C20 | C19 | H14 | 50.0° | 177.1° |
| H4 | C20 | C19 | H15 | 169.6° | 57.0° |
| H7 | C22 | C16 | H20 | 53.8° | 179.9° |
| H7 | C22 | C23 | H21 | 55.8° | 60.0° |
| H7 | C22 | C23 | H22 | 63.6° | 180.0° |
| H8 | C22 | C16 | H20 | 173.0° | 59.9° |
| H8 | C22 | C23 | H21 | 175.1° | 60.0° |
| H8 | C22 | C23 | H22 | 55.6° | 60.0° |
| H9 | C24 | C23 | H21 | 57.2° | 60.0° |
| H9 | C24 | C23 | H22 | 62.2° | 180.0° |
| H9 | C24 | C25 | H23 | 62.6° | 60.0° |
| H9 | C24 | C25 | H24 | 57.0° | 179.9° |
| H10 | C24 | C23 | H21 | 176.9° | 60.0° |
| H10 | C24 | C23 | H22 | 57.5° | 60.0° |
| H10 | C24 | C25 | H23 | 57.1° | 60.0° |
| H10 | C24 | C25 | H24 | 176.6° | 60.0° |
| H11 | C26 | C16 | H20 | 172.7° | 60.0° |
| H11 | C26 | C25 | H23 | 54.9° | 59.9° |
| H11 | C26 | C25 | H24 | 174.4° | 60.0° |
| H12 | C26 | C16 | H20 | 53.2° | 180.0° |
| H12 | C26 | C25 | H23 | 64.5° | 60.0° |
| H12 | C26 | C25 | H24 | 55.0° | 180.0° |
| H13 | C28 | C27 | H26 | 1.0° | 0.0° |
| H14 | C19 | C18 | H16 | 51.8° | 57.7° |
| H14 | C19 | C18 | H17 | 67.6° | 177.7° |
| H15 | C19 | C18 | H16 | 171.5° | 62.5° |
| H15 | C19 | C18 | H17 | 52.1° | 57.5° |
| H19 | N15 | C16 | H20 | 173.9° | 145.0° |
| H27 | C31 | C30 | H28 | 0.8° | 0.2° |
