9M4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C21 | C11 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C11 | C25 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C15 | N14 | sing | 1.47Å | 1.47Å | |
| C15 | C20 | sing | 1.53Å | 1.53Å | |
| O13 | C12 | doub | 1.21Å | 1.22Å | |
| N14 | C12 | sing | 1.35Å | 1.35Å | |
| C12 | C10 | sing | 1.51Å | 1.56Å | |
| C10 | N9 | sing | 1.46Å | 1.50Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| O36 | C34 | doub | 1.21Å | 1.23Å | |
| C35 | C34 | sing | 1.51Å | 1.50Å | |
| C34 | N33 | sing | 1.35Å | 1.37Å | |
| N9 | C26 | sing | 1.40Å | 1.43Å | |
| N9 | C1 | sing | 1.35Å | 1.41Å | |
| C27 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| N33 | C28 | sing | 1.40Å | 1.42Å | |
| O32 | C1 | doub | 1.22Å | 1.22Å | |
| C28 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.48Å | 1.51Å | |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | CL8 | sing | 1.74Å | 1.74Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| N14 | H22 | sing | 0.97Å | 1.00Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.08Å | 1.08Å | |
| C31 | H32 | sing | 1.08Å | 1.08Å | |
| N33 | H33 | sing | 0.97Å | 1.00Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 111.2° | 109.5° |
| C22 | C23 | C24 | 111.7° | 109.4° |
| C23 | C22 | H12 | 109.0° | 109.5° |
| C23 | C22 | H13 | 109.0° | 109.5° |
| C22 | C23 | H18 | 108.9° | 109.5° |
| C22 | C23 | H19 | 108.9° | 109.4° |
| C22 | C21 | C11 | 111.3° | 109.5° |
| C22 | C21 | H10 | 109.0° | 109.5° |
| C22 | C21 | H11 | 109.0° | 109.5° |
| C21 | C22 | H12 | 109.0° | 109.5° |
| C21 | C22 | H13 | 109.0° | 109.4° |
| C23 | C24 | C25 | 111.8° | 109.5° |
| C23 | C24 | H14 | 108.9° | 109.5° |
| C23 | C24 | H15 | 108.9° | 109.5° |
| C24 | C23 | H18 | 108.9° | 109.5° |
| C24 | C23 | H19 | 108.9° | 109.5° |
| C21 | C11 | C25 | 109.0° | 109.5° |
| C21 | C11 | C10 | 111.3° | 109.5° |
| C11 | C21 | H10 | 109.0° | 109.5° |
| C11 | C21 | H11 | 109.0° | 109.5° |
| C21 | C11 | H17 | 108.4° | 109.5° |
| C16 | C17 | C18 | 111.5° | 109.5° |
| C17 | C16 | C15 | 111.1° | 109.5° |
| C16 | C17 | H6 | 109.0° | 109.5° |
| C16 | C17 | H7 | 109.0° | 109.5° |
| C17 | C16 | H23 | 109.0° | 109.5° |
| C17 | C16 | H24 | 109.1° | 109.5° |
| C17 | C18 | C19 | 111.3° | 109.5° |
| C18 | C17 | H6 | 109.0° | 109.5° |
| C18 | C17 | H7 | 109.0° | 109.4° |
| C17 | C18 | H25 | 109.0° | 109.5° |
| C17 | C18 | H26 | 109.0° | 109.5° |
| C16 | C15 | N14 | 110.7° | 109.5° |
| C16 | C15 | C20 | 110.6° | 109.5° |
| C16 | C15 | H5 | 107.6° | 109.4° |
| C15 | C16 | H23 | 109.1° | 109.5° |
| C15 | C16 | H24 | 109.1° | 109.4° |
| C24 | C25 | C11 | 112.0° | 109.5° |
| C25 | C24 | H14 | 108.9° | 109.4° |
| C25 | C24 | H15 | 108.9° | 109.4° |
| C24 | C25 | H20 | 108.8° | 109.5° |
| C24 | C25 | H21 | 108.8° | 109.4° |
| C18 | C19 | C20 | 111.4° | 109.5° |
| C19 | C18 | H25 | 109.0° | 109.5° |
| C19 | C18 | H26 | 109.0° | 109.5° |
| C18 | C19 | H27 | 109.0° | 109.4° |
| C18 | C19 | H28 | 109.0° | 109.5° |
| C25 | C11 | C10 | 111.2° | 109.5° |
| C25 | C11 | H17 | 108.4° | 109.5° |
| C11 | C25 | H20 | 108.8° | 109.5° |
| C11 | C25 | H21 | 108.8° | 109.5° |
| C11 | C10 | C12 | 114.5° | 109.5° |
| C11 | C10 | N9 | 115.1° | 109.5° |
| C11 | C10 | H4 | 105.2° | 109.4° |
| C10 | C11 | H17 | 108.4° | 109.4° |
| N14 | C15 | C20 | 111.7° | 109.5° |
| C15 | N14 | C12 | 123.1° | 120.0° |
| N14 | C15 | H5 | 108.4° | 109.5° |
| C15 | N14 | H22 | 118.5° | 120.0° |
| C15 | C20 | C19 | 110.9° | 109.5° |
| C20 | C15 | H5 | 107.6° | 109.4° |
| C15 | C20 | H8 | 109.1° | 109.5° |
| C15 | C20 | H9 | 109.1° | 109.5° |
| O13 | C12 | N14 | 123.2° | 120.0° |
| O13 | C12 | C10 | 119.9° | 120.0° |
| N14 | C12 | C10 | 116.9° | 120.0° |
| C12 | N14 | H22 | 118.5° | 120.0° |
| C12 | C10 | N9 | 110.6° | 109.5° |
| C12 | C10 | H4 | 104.9° | 109.5° |
| C10 | N9 | C26 | 116.9° | 120.0° |
| C10 | N9 | C1 | 119.5° | 120.0° |
| N9 | C10 | H4 | 105.5° | 109.5° |
| C19 | C20 | H8 | 109.1° | 109.4° |
| C19 | C20 | H9 | 109.1° | 109.5° |
| C20 | C19 | H27 | 109.0° | 109.5° |
| C20 | C19 | H28 | 109.0° | 109.4° |
| O36 | C34 | C35 | 121.8° | 120.0° |
| O36 | C34 | N33 | 123.3° | 120.0° |
| C35 | C34 | N33 | 114.9° | 120.0° |
| C34 | C35 | H34 | 109.5° | 109.5° |
| C34 | C35 | H35 | 109.5° | 109.4° |
| C34 | C35 | H36 | 109.4° | 109.5° |
| C34 | N33 | C28 | 129.0° | 120.0° |
| C34 | N33 | H33 | 115.5° | 120.0° |
| C26 | N9 | C1 | 123.6° | 120.0° |
| N9 | C26 | C27 | 119.2° | 120.1° |
| N9 | C26 | C31 | 121.1° | 120.0° |
| N9 | C1 | O32 | 121.3° | 120.0° |
| N9 | C1 | C2 | 120.8° | 120.0° |
| C26 | C27 | C28 | 120.4° | 119.9° |
| C27 | C26 | C31 | 119.7° | 119.9° |
| C26 | C27 | H29 | 119.8° | 120.0° |
| C27 | C28 | N33 | 121.6° | 120.1° |
| C27 | C28 | C29 | 119.5° | 119.9° |
| C28 | C27 | H29 | 119.8° | 120.1° |
| C26 | C31 | C30 | 119.7° | 120.0° |
| C26 | C31 | H32 | 120.2° | 119.9° |
| N33 | C28 | C29 | 118.9° | 120.0° |
| C28 | N33 | H33 | 115.5° | 120.0° |
| O32 | C1 | C2 | 117.9° | 120.0° |
| C28 | C29 | C30 | 120.1° | 120.0° |
| C28 | C29 | H30 | 119.9° | 120.0° |
| C1 | C2 | C7 | 118.9° | 120.1° |
| C1 | C2 | C3 | 122.5° | 120.2° |
| C31 | C30 | C29 | 120.7° | 120.2° |
| C31 | C30 | H31 | 119.7° | 119.9° |
| C30 | C31 | H32 | 120.2° | 120.0° |
| C30 | C29 | H30 | 120.0° | 120.0° |
| C29 | C30 | H31 | 119.7° | 119.9° |
| C7 | C2 | C3 | 118.5° | 119.7° |
| C2 | C7 | C6 | 120.8° | 119.8° |
| C2 | C7 | H3 | 119.6° | 120.1° |
| C2 | C3 | C4 | 120.8° | 119.9° |
| C2 | C3 | H16 | 119.6° | 120.0° |
| C7 | C6 | C5 | 119.2° | 120.2° |
| C7 | C6 | H2 | 120.4° | 119.9° |
| C6 | C7 | H3 | 119.6° | 120.1° |
| C3 | C4 | C5 | 119.2° | 120.1° |
| C3 | C4 | H1 | 120.4° | 120.0° |
| C4 | C3 | H16 | 119.6° | 120.0° |
| C6 | C5 | C4 | 121.5° | 120.3° |
| C6 | C5 | CL8 | 119.4° | 119.9° |
| C5 | C6 | H2 | 120.4° | 119.9° |
| C4 | C5 | CL8 | 119.2° | 119.8° |
| C5 | C4 | H1 | 120.4° | 119.9° |
| H6 | C17 | H7 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.4° |
| H10 | C21 | H11 | 109.5° | 109.4° |
| H12 | C22 | H13 | 109.4° | 109.5° |
| H14 | C24 | H15 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.4° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H34 | C35 | H35 | 109.5° | 109.5° |
| H34 | C35 | H36 | 109.5° | 109.5° |
| H35 | C35 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H12 | 120.3° | 120.0° |
| C23 | C22 | C21 | H13 | 120.3° | 120.0° |
| C22 | C23 | C24 | H18 | 120.4° | 120.0° |
| C22 | C23 | C24 | H19 | 120.3° | 120.0° |
| C23 | C22 | C21 | C11 | 59.3° | 60.0° |
| C22 | C23 | C24 | C25 | 50.6° | 60.0° |
| C23 | C22 | C21 | H10 | 61.0° | 60.0° |
| C23 | C22 | C21 | H11 | 179.6° | 180.0° |
| C23 | C22 | H12 | H13 | 119.2° | 120.0° |
| C22 | C23 | C24 | H14 | 69.8° | 60.0° |
| C22 | C23 | C24 | H15 | 170.9° | 180.0° |
| C22 | C23 | H18 | H19 | 119.0° | 120.0° |
| C21 | C22 | C23 | C24 | 53.9° | 60.0° |
| C22 | C21 | C11 | H10 | 120.3° | 120.0° |
| C22 | C21 | C11 | H11 | 120.3° | 120.0° |
| C22 | C21 | C11 | C25 | 59.7° | 60.0° |
| C22 | C21 | C11 | C10 | 177.3° | 180.0° |
| C22 | C21 | H10 | H11 | 119.2° | 120.0° |
| C21 | C22 | H12 | H13 | 119.2° | 120.0° |
| C22 | C21 | C11 | H17 | 58.1° | 60.0° |
| C21 | C22 | C23 | H18 | 174.3° | 180.0° |
| C21 | C22 | C23 | H19 | 66.4° | 59.9° |
| C23 | C24 | C25 | H14 | 120.3° | 120.0° |
| C23 | C24 | C25 | H15 | 120.3° | 120.0° |
| C23 | C24 | C25 | C11 | 52.4° | 60.0° |
| C24 | C23 | C22 | H12 | 174.2° | 60.0° |
| C24 | C23 | C22 | H13 | 66.4° | 180.0° |
| C23 | C24 | H14 | H15 | 118.9° | 120.1° |
| C24 | C23 | H18 | H19 | 119.0° | 120.0° |
| C23 | C24 | C25 | H20 | 172.8° | 180.0° |
| C23 | C24 | C25 | H21 | 68.0° | 60.0° |
| C21 | C11 | C25 | C24 | 56.4° | 60.0° |
| C21 | C11 | C25 | C10 | 123.1° | 120.0° |
| C21 | C11 | C25 | H17 | 117.8° | 120.0° |
| C21 | C11 | C10 | H17 | 119.2° | 120.0° |
| C21 | C11 | C10 | C12 | 52.3° | 61.1° |
| C21 | C11 | C10 | N9 | 177.9° | 178.9° |
| C21 | C11 | C10 | H4 | 62.3° | 58.9° |
| C11 | C21 | H10 | H11 | 119.2° | 120.0° |
| C11 | C21 | C22 | H12 | 179.6° | 60.0° |
| C11 | C21 | C22 | H13 | 61.0° | 180.0° |
| C21 | C11 | C25 | H20 | 176.7° | 180.0° |
| C21 | C11 | C25 | H21 | 64.0° | 60.0° |
| C16 | C17 | C18 | H6 | 120.3° | 120.0° |
| C16 | C17 | C18 | H7 | 120.3° | 120.0° |
| C17 | C16 | C15 | H23 | 120.2° | 120.0° |
| C17 | C16 | C15 | H24 | 120.3° | 120.0° |
| C16 | C17 | C18 | C19 | 53.6° | 60.0° |
| C17 | C16 | C15 | N14 | 176.9° | 180.0° |
| C17 | C16 | C15 | C20 | 58.7° | 60.0° |
| C17 | C16 | C15 | H5 | 58.7° | 60.0° |
| C16 | C17 | H6 | H7 | 119.1° | 120.1° |
| C17 | C16 | H23 | H24 | 119.2° | 120.0° |
| C16 | C17 | C18 | H25 | 173.9° | 180.0° |
| C16 | C17 | C18 | H26 | 66.7° | 60.0° |
| C18 | C17 | C16 | C15 | 57.0° | 60.0° |
| C17 | C18 | C19 | H25 | 120.3° | 120.0° |
| C17 | C18 | C19 | H26 | 120.3° | 120.0° |
| C17 | C18 | C19 | C20 | 52.4° | 60.0° |
| C18 | C17 | H6 | H7 | 119.1° | 120.0° |
| C18 | C17 | C16 | H23 | 63.3° | 180.0° |
| C18 | C17 | C16 | H24 | 177.3° | 60.0° |
| C17 | C18 | H25 | H26 | 119.2° | 120.0° |
| C17 | C18 | C19 | H27 | 67.9° | 180.0° |
| C17 | C18 | C19 | H28 | 172.7° | 59.9° |
| C16 | C15 | N14 | C20 | 123.8° | 120.0° |
| C16 | C15 | N14 | H5 | 117.8° | 120.0° |
| C16 | C15 | C20 | H5 | 117.3° | 120.0° |
| C16 | C15 | N14 | C12 | 94.1° | 85.0° |
| C16 | C15 | C20 | C19 | 57.3° | 60.0° |
| C15 | C16 | C17 | H6 | 63.3° | 60.0° |
| C15 | C16 | C17 | H7 | 177.3° | 180.0° |
| C16 | C15 | C20 | H8 | 62.9° | 60.0° |
| C16 | C15 | C20 | H9 | 177.5° | 180.0° |
| C16 | C15 | N14 | H22 | 85.9° | 95.0° |
| C15 | C16 | H23 | H24 | 119.2° | 120.0° |
| C24 | C25 | C11 | H20 | 120.4° | 120.0° |
| C24 | C25 | C11 | H21 | 120.4° | 119.9° |
| C24 | C25 | C11 | C10 | 179.5° | 180.0° |
| C25 | C24 | H14 | H15 | 119.0° | 119.9° |
| C24 | C25 | C11 | H17 | 61.5° | 60.1° |
| C25 | C24 | C23 | H18 | 170.9° | 180.0° |
| C25 | C24 | C23 | H19 | 69.7° | 60.0° |
| C24 | C25 | H20 | H21 | 118.8° | 120.0° |
| C18 | C19 | C20 | C15 | 54.3° | 60.0° |
| C18 | C19 | C20 | H27 | 120.3° | 120.0° |
| C18 | C19 | C20 | H28 | 120.3° | 120.0° |
| C19 | C18 | C17 | H6 | 66.7° | 60.0° |
| C19 | C18 | C17 | H7 | 173.9° | 179.9° |
| C18 | C19 | C20 | H8 | 65.9° | 60.0° |
| C18 | C19 | C20 | H9 | 174.5° | 180.0° |
| C19 | C18 | H25 | H26 | 119.1° | 120.0° |
| C18 | C19 | H27 | H28 | 119.1° | 120.1° |
| C25 | C11 | C10 | H17 | 119.0° | 120.0° |
| C25 | C11 | C10 | C12 | 174.1° | 178.9° |
| C25 | C11 | C10 | N9 | 56.1° | 58.9° |
| C25 | C11 | C10 | H4 | 59.5° | 61.1° |
| C25 | C11 | C21 | H10 | 60.6° | 60.0° |
| C25 | C11 | C21 | H11 | 180.0° | 180.0° |
| C11 | C25 | C24 | H14 | 67.9° | 60.0° |
| C11 | C25 | C24 | H15 | 172.7° | 180.0° |
| C11 | C25 | H20 | H21 | 118.8° | 120.0° |
| C11 | C10 | C12 | O13 | 141.8° | 111.8° |
| C11 | C10 | C12 | N14 | 38.1° | 68.3° |
| C11 | C10 | C12 | N9 | 132.0° | 120.0° |
| C11 | C10 | C12 | H4 | 114.7° | 120.0° |
| C11 | C10 | N9 | H4 | 115.4° | 119.9° |
| C11 | C10 | N9 | C26 | 118.2° | 121.7° |
| C11 | C10 | N9 | C1 | 61.9° | 58.3° |
| C10 | C11 | C21 | H10 | 62.5° | 60.0° |
| C10 | C11 | C21 | H11 | 57.0° | 60.0° |
| C10 | C11 | C25 | H20 | 60.1° | 60.0° |
| C10 | C11 | C25 | H21 | 59.1° | 60.1° |
| N14 | C15 | C20 | H5 | 118.9° | 120.0° |
| C15 | N14 | C12 | O13 | 0.1° | 4.5° |
| C15 | N14 | C12 | H22 | 180.0° | 180.0° |
| C15 | N14 | C12 | C10 | 179.8° | 175.5° |
| N14 | C15 | C20 | C19 | 178.9° | 180.0° |
| N14 | C15 | C20 | H8 | 60.9° | 60.0° |
| N14 | C15 | C20 | H9 | 58.7° | 60.0° |
| N14 | C15 | C16 | H23 | 62.8° | 60.0° |
| N14 | C15 | C16 | H24 | 56.6° | 60.0° |
| C20 | C15 | N14 | C12 | 142.2° | 155.0° |
| C15 | C20 | C19 | H8 | 120.2° | 120.0° |
| C15 | C20 | C19 | H9 | 120.2° | 120.1° |
| C15 | C20 | H8 | H9 | 119.3° | 120.0° |
| C20 | C15 | N14 | H22 | 37.8° | 25.0° |
| C20 | C15 | C16 | H23 | 61.6° | 180.0° |
| C20 | C15 | C16 | H24 | 178.9° | 60.1° |
| C15 | C20 | C19 | H27 | 66.0° | 180.0° |
| C15 | C20 | C19 | H28 | 174.6° | 60.0° |
| O13 | C12 | N14 | C10 | 179.9° | 179.9° |
| O13 | C12 | C10 | N9 | 86.2° | 8.2° |
| O13 | C12 | C10 | H4 | 27.0° | 128.2° |
| O13 | C12 | N14 | H22 | 179.9° | 175.5° |
| N14 | C12 | C10 | N9 | 93.9° | 171.7° |
| N14 | C12 | C10 | H4 | 152.9° | 51.7° |
| C12 | N14 | C15 | H5 | 23.7° | 35.0° |
| C12 | C10 | N9 | H4 | 112.9° | 120.1° |
| C12 | C10 | N9 | C26 | 110.1° | 118.3° |
| C12 | C10 | N9 | C1 | 69.8° | 61.7° |
| C12 | C10 | C11 | H17 | 66.9° | 58.9° |
| C10 | C12 | N14 | H22 | 0.2° | 4.6° |
| C10 | N9 | C26 | C1 | 179.9° | 180.0° |
| C10 | N9 | C26 | C27 | 59.6° | 123.6° |
| C10 | N9 | C26 | C31 | 119.6° | 56.1° |
| C10 | N9 | C1 | O32 | 0.1° | 4.4° |
| C10 | N9 | C1 | C2 | 179.9° | 175.6° |
| N9 | C10 | C11 | H17 | 62.9° | 61.1° |
| C19 | C20 | C15 | H5 | 60.0° | 60.0° |
| C19 | C20 | H8 | H9 | 119.3° | 120.0° |
| C20 | C19 | C18 | H25 | 172.6° | 180.0° |
| C20 | C19 | C18 | H26 | 67.9° | 60.0° |
| C20 | C19 | H27 | H28 | 119.1° | 120.0° |
| O36 | C34 | C35 | N33 | 179.9° | 180.0° |
| O36 | C34 | N33 | C28 | 0.1° | 5.1° |
| O36 | C34 | N33 | H33 | 180.0° | 174.9° |
| O36 | C34 | C35 | H34 | 0.0° | 90.0° |
| O36 | C34 | C35 | H35 | 120.0° | 30.0° |
| O36 | C34 | C35 | H36 | 120.0° | 150.0° |
| C35 | C34 | N33 | C28 | 180.0° | 174.9° |
| C35 | C34 | N33 | H33 | 0.0° | 5.0° |
| C34 | C35 | H34 | H35 | 120.0° | 120.0° |
| C34 | C35 | H34 | H36 | 120.0° | 120.0° |
| C34 | C35 | H35 | H36 | 120.0° | 120.0° |
| C34 | N33 | C28 | C27 | 0.4° | 144.3° |
| C34 | N33 | C28 | H33 | 180.0° | 180.0° |
| C34 | N33 | C28 | C29 | 179.6° | 35.5° |
| N33 | C34 | C35 | H34 | 180.0° | 90.0° |
| N33 | C34 | C35 | H35 | 60.0° | 150.0° |
| N33 | C34 | C35 | H36 | 60.1° | 30.0° |
| N9 | C26 | C27 | C31 | 179.3° | 179.7° |
| N9 | C26 | C27 | C28 | 179.7° | 179.7° |
| C26 | N9 | C1 | O32 | 180.0° | 175.6° |
| C26 | N9 | C1 | C2 | 0.2° | 4.4° |
| N9 | C26 | C31 | C30 | 179.8° | 180.0° |
| C26 | N9 | C10 | H4 | 2.8° | 1.8° |
| N9 | C26 | C27 | H29 | 0.3° | 0.3° |
| N9 | C26 | C31 | H32 | 0.2° | 0.0° |
| C1 | N9 | C26 | C27 | 120.3° | 56.4° |
| C1 | N9 | C26 | C31 | 60.5° | 123.9° |
| N9 | C1 | O32 | C2 | 179.8° | 180.0° |
| N9 | C1 | C2 | C7 | 121.8° | 157.8° |
| N9 | C1 | C2 | C3 | 58.5° | 22.4° |
| C1 | N9 | C10 | H4 | 177.3° | 178.3° |
| C26 | C27 | C28 | H29 | 180.0° | 180.0° |
| C26 | C27 | C28 | N33 | 179.8° | 179.8° |
| C26 | C27 | C28 | C29 | 0.2° | 0.1° |
| C27 | C26 | C31 | C30 | 0.5° | 0.3° |
| C27 | C26 | C31 | H32 | 179.5° | 179.7° |
| C28 | C27 | C26 | C31 | 0.4° | 0.0° |
| C27 | C28 | N33 | C29 | 180.0° | 179.8° |
| C27 | C28 | C29 | C30 | 0.0° | 0.2° |
| C27 | C28 | C29 | H30 | 180.0° | 180.0° |
| C27 | C28 | N33 | H33 | 179.6° | 35.7° |
| C26 | C31 | C30 | H32 | 180.0° | 180.0° |
| C26 | C31 | C30 | C29 | 0.4° | 0.5° |
| C31 | C26 | C27 | H29 | 179.5° | 180.0° |
| C26 | C31 | C30 | H31 | 179.6° | 179.9° |
| N33 | C28 | C29 | C30 | 180.0° | 180.0° |
| N33 | C28 | C27 | H29 | 0.2° | 0.2° |
| N33 | C28 | C29 | H30 | 0.0° | 0.2° |
| O32 | C1 | C2 | C7 | 57.9° | 22.2° |
| O32 | C1 | C2 | C3 | 121.7° | 157.6° |
| C28 | C29 | C30 | C31 | 0.1° | 0.4° |
| C28 | C29 | C30 | H30 | 180.0° | 179.8° |
| C29 | C28 | C27 | H29 | 179.8° | 179.9° |
| C28 | C29 | C30 | H31 | 179.9° | 180.0° |
| C29 | C28 | N33 | H33 | 0.4° | 144.5° |
| C1 | C2 | C7 | C3 | 179.6° | 179.8° |
| C1 | C2 | C7 | C6 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 179.9° | 179.7° |
| C1 | C2 | C7 | H3 | 0.2° | 0.0° |
| C1 | C2 | C3 | H16 | 0.1° | 0.0° |
| C31 | C30 | C29 | H31 | 180.0° | 179.6° |
| C31 | C30 | C29 | H30 | 179.9° | 179.7° |
| C29 | C30 | C31 | H32 | 179.7° | 179.5° |
| C2 | C7 | C6 | H3 | 180.0° | 180.0° |
| C7 | C2 | C3 | C4 | 0.3° | 0.5° |
| C2 | C7 | C6 | C5 | 0.1° | 0.1° |
| C2 | C7 | C6 | H2 | 179.9° | 180.0° |
| C7 | C2 | C3 | H16 | 179.7° | 179.8° |
| C3 | C2 | C7 | C6 | 0.2° | 0.2° |
| C2 | C3 | C4 | H16 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.2° | 0.6° |
| C2 | C3 | C4 | H1 | 179.8° | 179.7° |
| C3 | C2 | C7 | H3 | 179.8° | 179.8° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.0° | 0.0° |
| C7 | C6 | C5 | CL8 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.3° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | CL8 | 180.0° | 179.7° |
| C6 | C5 | C4 | CL8 | 180.0° | 179.9° |
| C6 | C5 | C4 | H1 | 180.0° | 179.9° |
| C5 | C6 | C7 | H3 | 179.9° | 180.0° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | H16 | 179.8° | 179.7° |
| CL8 | C5 | C4 | H1 | 0.0° | 0.0° |
| CL8 | C5 | C6 | H2 | 0.0° | 0.0° |
| H1 | C4 | C3 | H16 | 0.2° | 0.0° |
| H2 | C6 | C7 | H3 | 0.1° | 0.0° |
| H4 | C10 | C11 | H17 | 178.5° | 178.9° |
| H5 | C15 | C20 | H8 | 179.8° | 180.0° |
| H5 | C15 | C20 | H9 | 60.2° | 60.0° |
| H5 | C15 | N14 | H22 | 156.3° | 145.0° |
| H5 | C15 | C16 | H23 | 178.9° | 60.0° |
| H5 | C15 | C16 | H24 | 61.6° | 180.0° |
| H6 | C17 | C16 | H23 | 176.4° | 60.0° |
| H6 | C17 | C16 | H24 | 57.0° | 180.0° |
| H6 | C17 | C18 | H25 | 53.6° | 60.0° |
| H6 | C17 | C18 | H26 | 173.0° | NaN° |
| H7 | C17 | C16 | H23 | 57.0° | 60.0° |
| H7 | C17 | C16 | H24 | 62.4° | 60.0° |
| H7 | C17 | C18 | H25 | 65.8° | 60.0° |
| H7 | C17 | C18 | H26 | 53.6° | 60.0° |
| H8 | C20 | C19 | H27 | 173.8° | 59.9° |
| H8 | C20 | C19 | H28 | 54.4° | 180.0° |
| H9 | C20 | C19 | H27 | 54.2° | 60.0° |
| H9 | C20 | C19 | H28 | 65.2° | 60.0° |
| H10 | C21 | C22 | H12 | 59.3° | 180.0° |
| H10 | C21 | C22 | H13 | 178.7° | 60.0° |
| H10 | C21 | C11 | H17 | 178.3° | 180.0° |
| H11 | C21 | C22 | H12 | 60.2° | 60.0° |
| H11 | C21 | C22 | H13 | 59.3° | 60.0° |
| H11 | C21 | C11 | H17 | 62.2° | 60.0° |
| H12 | C22 | C23 | H18 | 65.5° | 60.0° |
| H12 | C22 | C23 | H19 | 53.9° | 179.9° |
| H13 | C22 | C23 | H18 | 54.0° | 60.0° |
| H13 | C22 | C23 | H19 | 173.3° | 60.0° |
| H14 | C24 | C23 | H18 | 50.6° | 60.0° |
| H14 | C24 | C23 | H19 | 169.9° | 179.9° |
| H14 | C24 | C25 | H20 | 52.5° | 60.0° |
| H14 | C24 | C25 | H21 | 171.7° | 180.0° |
| H15 | C24 | C23 | H18 | 68.7° | 60.1° |
| H15 | C24 | C23 | H19 | 50.6° | 60.0° |
| H15 | C24 | C25 | H20 | 66.8° | 59.9° |
| H15 | C24 | C25 | H21 | 52.4° | 60.0° |
| H17 | C11 | C25 | H20 | 58.9° | 60.0° |
| H17 | C11 | C25 | H21 | 178.1° | 180.0° |
| H25 | C18 | C19 | H27 | 52.4° | 60.0° |
| H25 | C18 | C19 | H28 | 67.1° | 60.0° |
| H26 | C18 | C19 | H27 | 171.8° | 60.0° |
| H26 | C18 | C19 | H28 | 52.4° | 179.9° |
| H30 | C29 | C30 | H31 | 0.1° | 0.2° |
| H31 | C30 | C31 | H32 | 0.4° | 0.0° |
| H34 | C35 | H35 | H36 | 120.0° | 120.0° |
