VK4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O33 | C31 | doub | 1.21Å | 1.26Å | |
| O32 | C31 | sing | 1.34Å | 1.26Å | |
| C31 | C30 | sing | 1.51Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C28 | C34 | sing | 1.51Å | 1.49Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C35 | C34 | doub | 1.38Å | 1.37Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.37Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.37Å | Aromatic |
| C27 | C25 | sing | 1.51Å | 1.51Å | |
| C22 | C11 | sing | 1.53Å | 1.51Å | |
| CL7 | C6 | sing | 1.74Å | 1.73Å | |
| C18 | C19 | sing | 1.55Å | 1.50Å | |
| C18 | C17 | sing | 1.55Å | 1.50Å | |
| C11 | N12 | sing | 1.47Å | 1.45Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.54Å | 1.50Å | |
| N12 | C13 | sing | 1.47Å | 1.43Å | |
| N12 | C15 | sing | 1.35Å | 1.38Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C25 | N24 | sing | 1.35Å | 1.38Å | |
| C25 | O26 | doub | 1.21Å | 1.23Å | |
| N24 | C1 | sing | 1.40Å | 1.42Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | C14 | sing | 1.53Å | 1.53Å | |
| C9 | O8 | sing | 1.43Å | 1.43Å | |
| C15 | C17 | sing | 1.51Å | 1.50Å | |
| C15 | O16 | doub | 1.21Å | 1.23Å | |
| C17 | C21 | sing | 1.54Å | 1.51Å | |
| C6 | C1 | doub | 1.39Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.54Å | 1.51Å | |
| O8 | C5 | sing | 1.36Å | 1.38Å | |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | CL2 | sing | 1.74Å | 1.74Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.08Å | 1.08Å | |
| C36 | H29 | sing | 1.08Å | 1.08Å | |
| C37 | H30 | sing | 1.08Å | 1.08Å | |
| C38 | H31 | sing | 1.08Å | 1.08Å | |
| C39 | H32 | sing | 1.08Å | 1.08Å | |
| C4 | H33 | sing | 1.08Å | 1.08Å | |
| C9 | H34 | sing | 1.09Å | 1.10Å | |
| N24 | H35 | sing | 0.97Å | 1.00Å | |
| O32 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O33 | C31 | O32 | 128.1° | 120.0° |
| O33 | C31 | C30 | 116.2° | 120.0° |
| O32 | C31 | C30 | 115.7° | 120.0° |
| C31 | O32 | H36 | 109.5° | 117.0° |
| C31 | C30 | C29 | 105.5° | 109.4° |
| C31 | C30 | H26 | 110.5° | 109.5° |
| C31 | C30 | H27 | 110.5° | 109.5° |
| C30 | C29 | C28 | 109.9° | 109.4° |
| C30 | C29 | H24 | 109.4° | 109.5° |
| C30 | C29 | H25 | 109.4° | 109.5° |
| C29 | C30 | H26 | 110.5° | 109.5° |
| C29 | C30 | H27 | 110.5° | 109.5° |
| C29 | C28 | C34 | 111.9° | 109.5° |
| C29 | C28 | C27 | 109.0° | 109.4° |
| C29 | C28 | H23 | 109.5° | 109.4° |
| C28 | C29 | H24 | 109.4° | 109.5° |
| C28 | C29 | H25 | 109.4° | 109.5° |
| C34 | C28 | C27 | 106.8° | 109.5° |
| C28 | C34 | C35 | 120.8° | 120.0° |
| C28 | C34 | C39 | 120.5° | 120.0° |
| C34 | C28 | H23 | 110.1° | 109.5° |
| C28 | C27 | C25 | 113.0° | 109.4° |
| C28 | C27 | H21 | 108.6° | 109.5° |
| C28 | C27 | H22 | 108.6° | 109.5° |
| C27 | C28 | H23 | 109.5° | 109.5° |
| C34 | C35 | C36 | 121.0° | 120.0° |
| C35 | C34 | C39 | 118.7° | 120.0° |
| C34 | C35 | H28 | 119.5° | 120.0° |
| C35 | C36 | C37 | 119.8° | 120.0° |
| C36 | C35 | H28 | 119.5° | 120.0° |
| C35 | C36 | H29 | 120.1° | 120.0° |
| C34 | C39 | C38 | 120.5° | 120.0° |
| C34 | C39 | H32 | 119.8° | 120.0° |
| C36 | C37 | C38 | 119.4° | 120.1° |
| C37 | C36 | H29 | 120.1° | 120.1° |
| C36 | C37 | H30 | 120.3° | 119.9° |
| C39 | C38 | C37 | 120.5° | 120.0° |
| C39 | C38 | H31 | 119.8° | 120.0° |
| C38 | C39 | H32 | 119.8° | 120.0° |
| C38 | C37 | H30 | 120.3° | 120.0° |
| C37 | C38 | H31 | 119.7° | 120.0° |
| C27 | C25 | N24 | 111.5° | 119.9° |
| C27 | C25 | O26 | 122.8° | 120.1° |
| C25 | C27 | H21 | 108.6° | 109.5° |
| C25 | C27 | H22 | 108.6° | 109.5° |
| C22 | C11 | N12 | 118.2° | 109.6° |
| C22 | C11 | C10 | 116.9° | 109.5° |
| C22 | C11 | H3 | 102.3° | 109.7° |
| C11 | C22 | H18 | 109.5° | 109.4° |
| C11 | C22 | H19 | 109.5° | 109.5° |
| C11 | C22 | H20 | 109.5° | 109.5° |
| CL7 | C6 | C1 | 117.2° | 120.1° |
| CL7 | C6 | C5 | 122.1° | 120.1° |
| C19 | C18 | C17 | 107.8° | 102.8° |
| C18 | C19 | C20 | 106.9° | 104.2° |
| C19 | C18 | H9 | 109.9° | 110.7° |
| C19 | C18 | H10 | 109.9° | 110.8° |
| C18 | C19 | H11 | 110.1° | 110.5° |
| C18 | C19 | H12 | 110.1° | 110.5° |
| C18 | C17 | C15 | 106.1° | 110.5° |
| C18 | C17 | C21 | 106.7° | 104.2° |
| C18 | C17 | H8 | 111.9° | 110.6° |
| C17 | C18 | H9 | 109.9° | 110.8° |
| C17 | C18 | H10 | 109.9° | 110.8° |
| N12 | C11 | C10 | 111.4° | 108.8° |
| C11 | N12 | C13 | 108.3° | 118.7° |
| C11 | N12 | C15 | 126.3° | 120.6° |
| N12 | C11 | H3 | 102.8° | 109.6° |
| C11 | C10 | C9 | 95.3° | 109.3° |
| C11 | C10 | H1 | 112.9° | 109.5° |
| C11 | C10 | H2 | 112.9° | 109.5° |
| C10 | C11 | H3 | 102.2° | 109.6° |
| C19 | C20 | C21 | 107.0° | 106.6° |
| C20 | C19 | H11 | 110.1° | 110.5° |
| C20 | C19 | H12 | 110.1° | 110.5° |
| C19 | C20 | H14 | 110.1° | 110.0° |
| C19 | C20 | H15 | 110.1° | 110.0° |
| C13 | N12 | C15 | 118.6° | 120.7° |
| N12 | C13 | C14 | 110.5° | 108.8° |
| N12 | C13 | H4 | 109.2° | 109.6° |
| N12 | C13 | H5 | 109.2° | 109.7° |
| N12 | C15 | C17 | 111.0° | 120.0° |
| N12 | C15 | O16 | 127.3° | 120.0° |
| C13 | C14 | C9 | 114.3° | 109.3° |
| C14 | C13 | H4 | 109.2° | 109.6° |
| C14 | C13 | H5 | 109.2° | 109.6° |
| C13 | C14 | H6 | 108.3° | 109.5° |
| C13 | C14 | H7 | 108.3° | 109.5° |
| N24 | C25 | O26 | 125.6° | 120.0° |
| C25 | N24 | C1 | 123.3° | 119.9° |
| C25 | N24 | H35 | 118.4° | 120.0° |
| N24 | C1 | C6 | 118.0° | 120.0° |
| N24 | C1 | C2 | 122.7° | 120.1° |
| C1 | N24 | H35 | 118.4° | 120.0° |
| C10 | C9 | C14 | 108.3° | 109.5° |
| C10 | C9 | O8 | 118.5° | 109.5° |
| C9 | C10 | H1 | 112.9° | 109.5° |
| C9 | C10 | H2 | 112.9° | 109.5° |
| C10 | C9 | H34 | 108.1° | 109.4° |
| C14 | C9 | O8 | 104.4° | 109.5° |
| C9 | C14 | H6 | 108.3° | 109.5° |
| C9 | C14 | H7 | 108.3° | 109.5° |
| C14 | C9 | H34 | 107.9° | 109.5° |
| C9 | O8 | C5 | 117.3° | 117.0° |
| O8 | C9 | H34 | 109.2° | 109.4° |
| C17 | C15 | O16 | 121.7° | 120.0° |
| C15 | C17 | C21 | 108.0° | 110.5° |
| C15 | C17 | H8 | 111.9° | 110.4° |
| C17 | C21 | C20 | 108.0° | 106.6° |
| C21 | C17 | H8 | 111.8° | 110.5° |
| C17 | C21 | H16 | 109.8° | 110.0° |
| C17 | C21 | H17 | 109.8° | 110.0° |
| C1 | C6 | C5 | 120.8° | 119.9° |
| C6 | C1 | C2 | 119.2° | 119.9° |
| C6 | C5 | O8 | 123.3° | 120.0° |
| C6 | C5 | C4 | 120.8° | 120.0° |
| C1 | C2 | C3 | 119.6° | 120.0° |
| C1 | C2 | H13 | 120.2° | 120.0° |
| C21 | C20 | H14 | 110.1° | 110.1° |
| C21 | C20 | H15 | 110.1° | 110.1° |
| C20 | C21 | H16 | 109.8° | 110.0° |
| C20 | C21 | H17 | 109.8° | 110.0° |
| O8 | C5 | C4 | 115.9° | 120.0° |
| C5 | C4 | C3 | 118.2° | 120.1° |
| C5 | C4 | H33 | 120.9° | 120.0° |
| C2 | C3 | C4 | 121.5° | 120.1° |
| C2 | C3 | CL2 | 119.4° | 120.0° |
| C3 | C2 | H13 | 120.2° | 120.0° |
| C4 | C3 | CL2 | 119.1° | 119.9° |
| C3 | C4 | H33 | 120.9° | 120.0° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.6° |
| H6 | C14 | H7 | 109.4° | 109.5° |
| H9 | C18 | H10 | 109.5° | 110.8° |
| H11 | C19 | H12 | 109.5° | 110.5° |
| H14 | C20 | H15 | 109.5° | 110.0° |
| H16 | C21 | H17 | 109.5° | 110.1° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H18 | C22 | H20 | 109.5° | 109.4° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H24 | C29 | H25 | 109.5° | 109.5° |
| H26 | C30 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O33 | C31 | O32 | C30 | 177.5° | 179.9° |
| O33 | C31 | C30 | C29 | 102.1° | 0.0° |
| O33 | C31 | C30 | H26 | 17.3° | 119.9° |
| O33 | C31 | C30 | H27 | 138.5° | 120.0° |
| O33 | C31 | O32 | H36 | 0.0° | 0.1° |
| O32 | C31 | C30 | C29 | 80.1° | 180.0° |
| O32 | C31 | C30 | H26 | 160.5° | 60.0° |
| O32 | C31 | C30 | H27 | 39.3° | 60.1° |
| C31 | C30 | C29 | H26 | 119.4° | 120.0° |
| C31 | C30 | C29 | H27 | 119.4° | 120.0° |
| C31 | C30 | C29 | C28 | 173.8° | 180.0° |
| C31 | C30 | C29 | H24 | 66.1° | 60.0° |
| C31 | C30 | C29 | H25 | 53.8° | 60.0° |
| C31 | C30 | H26 | H27 | 121.9° | 120.0° |
| C30 | C31 | O32 | H36 | 177.5° | 180.0° |
| C30 | C29 | C28 | H24 | 120.1° | 120.0° |
| C30 | C29 | C28 | H25 | 120.0° | 120.0° |
| C30 | C29 | C28 | C34 | 61.1° | 65.0° |
| C30 | C29 | C28 | C27 | 179.0° | 175.0° |
| C30 | C29 | C28 | H23 | 61.3° | 55.0° |
| C30 | C29 | H24 | H25 | 119.8° | 120.0° |
| C29 | C30 | H26 | H27 | 121.8° | 120.0° |
| C29 | C28 | C34 | C27 | 119.2° | 120.0° |
| C29 | C28 | C34 | H23 | 122.1° | 120.0° |
| C29 | C28 | C27 | H23 | 119.8° | 119.9° |
| C29 | C28 | C34 | C35 | 44.6° | 60.3° |
| C29 | C28 | C34 | C39 | 136.8° | 120.0° |
| C29 | C28 | C27 | C25 | 179.0° | 175.0° |
| C29 | C28 | C27 | H21 | 60.4° | 55.0° |
| C29 | C28 | C27 | H22 | 58.5° | 65.1° |
| C28 | C29 | H24 | H25 | 119.8° | 120.0° |
| C28 | C29 | C30 | H26 | 54.5° | 60.0° |
| C28 | C29 | C30 | H27 | 66.8° | 60.0° |
| C34 | C28 | C27 | H23 | 119.2° | 120.1° |
| C28 | C34 | C35 | C39 | 178.6° | 179.7° |
| C28 | C34 | C35 | C36 | 178.8° | 179.9° |
| C28 | C34 | C39 | C38 | 179.1° | 179.8° |
| C34 | C28 | C27 | C25 | 59.9° | 65.0° |
| C34 | C28 | C27 | H21 | 60.6° | 175.0° |
| C34 | C28 | C27 | H22 | 179.6° | 55.0° |
| C34 | C28 | C29 | H24 | 59.0° | 175.0° |
| C34 | C28 | C29 | H25 | 178.8° | 55.0° |
| C28 | C34 | C35 | H28 | 1.2° | 0.0° |
| C28 | C34 | C39 | H32 | 0.9° | 0.0° |
| C27 | C28 | C34 | C35 | 74.6° | 59.7° |
| C27 | C28 | C34 | C39 | 104.0° | 120.0° |
| C28 | C27 | C25 | H21 | 120.5° | 120.0° |
| C28 | C27 | C25 | H22 | 120.5° | 120.0° |
| C28 | C27 | C25 | N24 | 73.0° | 180.0° |
| C28 | C27 | C25 | O26 | 109.9° | 0.0° |
| C28 | C27 | H21 | H22 | 118.4° | 120.0° |
| C27 | C28 | C29 | H24 | 58.9° | 55.0° |
| C27 | C28 | C29 | H25 | 61.0° | 65.0° |
| C34 | C35 | C36 | H28 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.1° | 0.0° |
| C35 | C34 | C39 | C38 | 0.5° | 0.4° |
| C35 | C34 | C28 | H23 | 166.7° | 179.8° |
| C34 | C35 | C36 | H29 | 179.9° | 180.0° |
| C35 | C34 | C39 | H32 | 179.5° | 179.7° |
| C36 | C35 | C34 | C39 | 0.2° | 0.2° |
| C35 | C36 | C37 | H29 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.0° | 0.1° |
| C35 | C36 | C37 | H30 | 180.0° | 179.9° |
| C34 | C39 | C38 | H32 | 180.0° | 179.8° |
| C34 | C39 | C38 | C37 | 0.6° | 0.4° |
| C39 | C34 | C28 | H23 | 14.7° | 0.0° |
| C39 | C34 | C35 | H28 | 179.8° | 179.8° |
| C34 | C39 | C38 | H31 | 179.5° | 179.8° |
| C36 | C37 | C38 | C39 | 0.3° | 0.2° |
| C36 | C37 | C38 | H30 | 180.0° | 180.0° |
| C37 | C36 | C35 | H28 | 180.0° | 180.0° |
| C36 | C37 | C38 | H31 | 179.7° | 180.0° |
| C39 | C38 | C37 | H31 | 180.0° | 179.8° |
| C39 | C38 | C37 | H30 | 179.7° | 179.8° |
| C38 | C37 | C36 | H29 | 180.0° | 180.0° |
| C37 | C38 | C39 | H32 | 179.5° | 179.7° |
| C27 | C25 | N24 | O26 | 177.1° | 180.0° |
| C27 | C25 | N24 | C1 | 165.2° | 174.5° |
| C25 | C27 | H21 | H22 | 118.4° | 120.0° |
| C25 | C27 | C28 | H23 | 59.3° | 55.1° |
| C27 | C25 | N24 | H35 | 14.8° | 5.5° |
| C22 | C11 | N12 | C10 | 139.6° | 119.7° |
| C22 | C11 | N12 | H3 | 111.7° | 120.5° |
| C22 | C11 | C10 | H3 | 110.7° | 120.4° |
| C22 | C11 | N12 | C13 | 147.6° | 173.4° |
| C22 | C11 | N12 | C15 | 62.0° | 6.7° |
| C22 | C11 | C10 | C9 | 141.2° | 174.4° |
| C22 | C11 | C10 | H1 | 101.2° | 54.5° |
| C22 | C11 | C10 | H2 | 23.6° | 65.6° |
| C11 | C22 | H18 | H19 | 120.0° | 120.0° |
| C11 | C22 | H18 | H20 | 120.0° | 120.0° |
| C11 | C22 | H19 | H20 | 120.0° | 120.0° |
| CL7 | C6 | C1 | N24 | 0.2° | 0.3° |
| CL7 | C6 | C1 | C5 | 179.7° | 179.9° |
| CL7 | C6 | C1 | C2 | 179.0° | 180.0° |
| CL7 | C6 | C5 | O8 | 0.8° | 0.1° |
| CL7 | C6 | C5 | C4 | 178.9° | 179.9° |
| C19 | C18 | C17 | H9 | 119.7° | 118.3° |
| C19 | C18 | C17 | H10 | 119.7° | 118.4° |
| C18 | C19 | C20 | H11 | 119.6° | 118.7° |
| C18 | C19 | C20 | H12 | 119.6° | 118.7° |
| C19 | C18 | C17 | C15 | 128.2° | 156.6° |
| C19 | C18 | C17 | C21 | 13.2° | 38.0° |
| C18 | C19 | C20 | C21 | 17.5° | 23.6° |
| C19 | C18 | C17 | H8 | 109.4° | 80.8° |
| C19 | C18 | H9 | H10 | 120.7° | 123.3° |
| C18 | C19 | H11 | H12 | 121.2° | 122.7° |
| C18 | C19 | C20 | H14 | 137.2° | 142.9° |
| C18 | C19 | C20 | H15 | 102.1° | 95.7° |
| C17 | C18 | C19 | C20 | 19.2° | 38.0° |
| C18 | C17 | C15 | N12 | 84.1° | 65.2° |
| C18 | C17 | C15 | C21 | 114.1° | 114.8° |
| C18 | C17 | C15 | H8 | 122.3° | 122.7° |
| C18 | C17 | C15 | O16 | 96.3° | 114.7° |
| C18 | C17 | C21 | H8 | 122.7° | 118.9° |
| C18 | C17 | C21 | C20 | 2.3° | 23.6° |
| C17 | C18 | H9 | H10 | 120.8° | 123.3° |
| C17 | C18 | C19 | H11 | 100.4° | 80.7° |
| C17 | C18 | C19 | H12 | 138.7° | 156.6° |
| C18 | C17 | C21 | H16 | 117.5° | 95.7° |
| C18 | C17 | C21 | H17 | 122.0° | 142.9° |
| N12 | C11 | C10 | H3 | 109.1° | 119.8° |
| C11 | N12 | C13 | C15 | 153.0° | 179.9° |
| C11 | N12 | C13 | C14 | 49.0° | 53.7° |
| N12 | C11 | C10 | C9 | 78.6° | 54.7° |
| C11 | N12 | C15 | C17 | 179.8° | 174.4° |
| C11 | N12 | C15 | O16 | 0.5° | 5.6° |
| N12 | C11 | C10 | H1 | 39.0° | 65.3° |
| N12 | C11 | C10 | H2 | 163.8° | 174.7° |
| C11 | N12 | C13 | H4 | 71.1° | 173.4° |
| C11 | N12 | C13 | H5 | 169.2° | 66.2° |
| N12 | C11 | C22 | H18 | 180.0° | 64.8° |
| N12 | C11 | C22 | H19 | 60.0° | 175.2° |
| N12 | C11 | C22 | H20 | 60.0° | 55.2° |
| C10 | C11 | N12 | C13 | 72.8° | 53.7° |
| C10 | C11 | N12 | C15 | 77.6° | 126.4° |
| C11 | C10 | C9 | H1 | 117.6° | 120.0° |
| C11 | C10 | C9 | H2 | 117.6° | 120.0° |
| C11 | C10 | C9 | C14 | 66.1° | 61.4° |
| C11 | C10 | C9 | O8 | 175.4° | 178.6° |
| C11 | C10 | H1 | H2 | 126.7° | 120.1° |
| C10 | C11 | C22 | H18 | 42.6° | 176.0° |
| C10 | C11 | C22 | H19 | 77.4° | 56.0° |
| C10 | C11 | C22 | H20 | 162.6° | 64.1° |
| C11 | C10 | C9 | H34 | 50.6° | 58.6° |
| C19 | C20 | C21 | C17 | 9.5° | 0.0° |
| C19 | C20 | C21 | H14 | 119.6° | 119.3° |
| C19 | C20 | C21 | H15 | 119.6° | 119.3° |
| C20 | C19 | C18 | H9 | 100.6° | 156.3° |
| C20 | C19 | C18 | H10 | 138.9° | 80.4° |
| C20 | C19 | H11 | H12 | 121.2° | 122.6° |
| C19 | C20 | H14 | H15 | 121.1° | 121.4° |
| C19 | C20 | C21 | H16 | 129.2° | 119.3° |
| C19 | C20 | C21 | H17 | 110.3° | 119.3° |
| N12 | C13 | C14 | H4 | 120.2° | 119.8° |
| N12 | C13 | C14 | H5 | 120.2° | 119.9° |
| N12 | C13 | C14 | C9 | 44.4° | 54.6° |
| C13 | N12 | C15 | C17 | 32.5° | 5.6° |
| C13 | N12 | C15 | O16 | 147.1° | 174.5° |
| C13 | N12 | C11 | H3 | 35.9° | 66.1° |
| N12 | C13 | H4 | H5 | 119.5° | 120.4° |
| N12 | C13 | C14 | H6 | 165.2° | 174.6° |
| N12 | C13 | C14 | H7 | 76.3° | 65.3° |
| C15 | N12 | C13 | C14 | 104.0° | 126.4° |
| N12 | C15 | C17 | O16 | 179.7° | 180.0° |
| N12 | C15 | C17 | C21 | 161.8° | 180.0° |
| C15 | N12 | C11 | H3 | 173.7° | 113.8° |
| C15 | N12 | C13 | H4 | 135.9° | 6.6° |
| C15 | N12 | C13 | H5 | 16.2° | 113.7° |
| N12 | C15 | C17 | H8 | 38.2° | 57.5° |
| C13 | C14 | C9 | C10 | 56.7° | 61.3° |
| C13 | C14 | C9 | H6 | 120.7° | 120.0° |
| C13 | C14 | C9 | H7 | 120.7° | 120.0° |
| C13 | C14 | C9 | O8 | 176.2° | 178.7° |
| C14 | C13 | H4 | H5 | 119.5° | 120.2° |
| C13 | C14 | H6 | H7 | 117.8° | 120.1° |
| C13 | C14 | C9 | H34 | 60.1° | 58.7° |
| C25 | N24 | C1 | H35 | 180.0° | 180.0° |
| C25 | N24 | C1 | C6 | 123.6° | 145.5° |
| C25 | N24 | C1 | C2 | 57.7° | 34.2° |
| N24 | C25 | C27 | H21 | 166.5° | 60.0° |
| N24 | C25 | C27 | H22 | 47.6° | 60.0° |
| O26 | C25 | N24 | C1 | 17.7° | 5.5° |
| O26 | C25 | C27 | H21 | 10.7° | 120.0° |
| O26 | C25 | C27 | H22 | 129.6° | 120.0° |
| O26 | C25 | N24 | H35 | 162.3° | 174.5° |
| N24 | C1 | C6 | C2 | 178.8° | 179.7° |
| N24 | C1 | C6 | C5 | 179.9° | 179.8° |
| N24 | C1 | C2 | C3 | 179.2° | 179.8° |
| N24 | C1 | C2 | H13 | 0.8° | 0.3° |
| C10 | C9 | C14 | O8 | 127.1° | 120.0° |
| C10 | C9 | C14 | H34 | 116.8° | 120.0° |
| C10 | C9 | O8 | H34 | 124.3° | 119.9° |
| C10 | C9 | O8 | C5 | 39.6° | 155.0° |
| C9 | C10 | H1 | H2 | 126.6° | 120.0° |
| C9 | C10 | C11 | H3 | 30.5° | 65.1° |
| C10 | C9 | C14 | H6 | 177.4° | 178.7° |
| C10 | C9 | C14 | H7 | 64.1° | 58.7° |
| C14 | C9 | O8 | H34 | 115.2° | 120.0° |
| C14 | C9 | O8 | C5 | 160.1° | 84.9° |
| C14 | C9 | C10 | H1 | 51.5° | 58.6° |
| C14 | C9 | C10 | H2 | 176.3° | 178.6° |
| C9 | C14 | C13 | H4 | 75.7° | 174.4° |
| C9 | C14 | C13 | H5 | 164.6° | 65.3° |
| C9 | C14 | H6 | H7 | 117.8° | 120.1° |
| C9 | O8 | C5 | C6 | 54.9° | 174.7° |
| C9 | O8 | C5 | C4 | 126.8° | 5.3° |
| O8 | C9 | C10 | H1 | 67.0° | 61.4° |
| O8 | C9 | C10 | H2 | 57.8° | 58.6° |
| O8 | C9 | C14 | H6 | 55.5° | 58.7° |
| O8 | C9 | C14 | H7 | 63.0° | 61.4° |
| C15 | C17 | C21 | H8 | 123.6° | 122.5° |
| C15 | C17 | C21 | C20 | 116.0° | 142.3° |
| C15 | C17 | C18 | H9 | 8.5° | 85.1° |
| C15 | C17 | C18 | H10 | 112.1° | 38.3° |
| C15 | C17 | C21 | H16 | 3.7° | 23.0° |
| C15 | C17 | C21 | H17 | 124.2° | 98.4° |
| O16 | C15 | C17 | C21 | 17.9° | 0.1° |
| O16 | C15 | C17 | H8 | 141.4° | 122.6° |
| C17 | C21 | C20 | H16 | 119.8° | 119.3° |
| C17 | C21 | C20 | H17 | 119.8° | 119.3° |
| C21 | C17 | C18 | H9 | 106.5° | 156.3° |
| C21 | C17 | C18 | H10 | 132.9° | 80.4° |
| C17 | C21 | C20 | H14 | 129.1° | 119.3° |
| C17 | C21 | C20 | H15 | 110.1° | 119.3° |
| C17 | C21 | H16 | H17 | 120.7° | 121.4° |
| C1 | C6 | C5 | O8 | 179.6° | 180.0° |
| C1 | C6 | C5 | C4 | 1.4° | 0.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.1° |
| C6 | C1 | C2 | H13 | 179.6° | 180.0° |
| C6 | C1 | N24 | H35 | 56.5° | 34.6° |
| C5 | C6 | C1 | C2 | 1.3° | 0.1° |
| C6 | C5 | O8 | C4 | 178.3° | 180.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.0° |
| C6 | C5 | C4 | H33 | 179.4° | 180.0° |
| C1 | C2 | C3 | H13 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C1 | C2 | C3 | CL2 | 178.7° | 179.9° |
| C2 | C1 | N24 | H35 | 122.3° | 145.7° |
| C20 | C21 | C17 | H8 | 120.4° | 95.2° |
| C21 | C20 | C19 | H11 | 102.0° | 95.1° |
| C21 | C20 | C19 | H12 | 137.1° | 142.3° |
| C21 | C20 | H14 | H15 | 121.2° | 121.5° |
| C20 | C21 | H16 | H17 | 120.7° | 121.4° |
| O8 | C5 | C4 | C3 | 178.9° | 180.0° |
| O8 | C5 | C4 | H33 | 1.1° | 0.0° |
| C5 | O8 | C9 | H34 | 84.7° | 35.1° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C5 | C4 | C3 | H33 | 180.0° | 180.0° |
| C5 | C4 | C3 | CL2 | 178.7° | 180.0° |
| C2 | C3 | C4 | CL2 | 179.1° | 180.0° |
| C2 | C3 | C4 | H33 | 179.7° | 180.0° |
| C4 | C3 | C2 | H13 | 179.6° | 180.0° |
| CL2 | C3 | C2 | H13 | 1.3° | 0.0° |
| CL2 | C3 | C4 | H33 | 1.3° | 0.0° |
| H1 | C10 | C11 | H3 | 148.1° | 174.9° |
| H1 | C10 | C9 | H34 | 168.2° | 178.6° |
| H2 | C10 | C11 | H3 | 87.1° | 54.8° |
| H2 | C10 | C9 | H34 | 67.0° | 61.3° |
| H3 | C11 | C22 | H18 | 68.0° | 55.6° |
| H3 | C11 | C22 | H19 | 172.0° | 64.4° |
| H3 | C11 | C22 | H20 | 51.9° | 175.6° |
| H4 | C13 | C14 | H6 | 45.0° | 65.6° |
| H4 | C13 | C14 | H7 | 163.5° | 54.5° |
| H5 | C13 | C14 | H6 | 74.7° | 54.6° |
| H5 | C13 | C14 | H7 | 43.9° | 174.7° |
| H6 | C14 | C9 | H34 | 60.6° | 61.3° |
| H7 | C14 | C9 | H34 | 179.1° | 178.7° |
| H8 | C17 | C18 | H9 | 130.8° | 37.5° |
| H8 | C17 | C18 | H10 | 10.3° | 160.8° |
| H8 | C17 | C21 | H16 | 119.9° | 145.5° |
| H8 | C17 | C21 | H17 | 0.6° | 24.0° |
| H9 | C18 | C19 | H11 | 139.8° | 37.6° |
| H9 | C18 | C19 | H12 | 19.0° | 85.1° |
| H10 | C18 | C19 | H11 | 19.3° | 161.0° |
| H10 | C18 | C19 | H12 | 101.5° | 38.3° |
| H11 | C19 | C20 | H14 | 17.6° | 24.2° |
| H11 | C19 | C20 | H15 | 138.3° | 145.6° |
| H12 | C19 | C20 | H14 | 103.2° | 98.4° |
| H12 | C19 | C20 | H15 | 17.5° | 23.0° |
| H14 | C20 | C21 | H16 | 111.1° | 121.4° |
| H14 | C20 | C21 | H17 | 9.3° | 0.0° |
| H15 | C20 | C21 | H16 | 9.6° | 0.0° |
| H15 | C20 | C21 | H17 | 130.1° | 121.4° |
| H18 | C22 | H19 | H20 | 120.0° | 120.0° |
| H21 | C27 | C28 | H23 | 179.8° | 64.9° |
| H22 | C27 | C28 | H23 | 61.2° | 175.0° |
| H23 | C28 | C29 | H24 | 178.6° | 64.9° |
| H23 | C28 | C29 | H25 | 58.7° | 175.0° |
| H24 | C29 | C30 | H26 | 174.6° | NaN° |
| H24 | C29 | C30 | H27 | 53.3° | 60.0° |
| H25 | C29 | C30 | H26 | 65.6° | 60.0° |
| H25 | C29 | C30 | H27 | 173.2° | 180.0° |
| H28 | C35 | C36 | H29 | 0.1° | 0.1° |
| H29 | C36 | C37 | H30 | 0.0° | 0.0° |
| H30 | C37 | C38 | H31 | 0.3° | 0.0° |
| H31 | C38 | C39 | H32 | 0.5° | 0.1° |
