TUW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C33 | sing | 1.74Å | 1.76Å | |
| C33 | C35 | doub | 1.38Å | 1.37Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C26 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| N14 | C13 | trip | 1.14Å | 1.15Å | |
| F24 | C23 | sing | 1.35Å | 1.34Å | |
| C13 | C12 | sing | 1.43Å | 1.44Å | |
| C22 | C23 | doub | 1.39Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C21 | sing | 1.51Å | 1.53Å | |
| C26 | O29 | sing | 1.43Å | 1.44Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C6 | sing | 1.51Å | 1.56Å | |
| C23 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | C6 | sing | 1.51Å | 1.51Å | |
| C25 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | O5 | sing | 1.43Å | 1.39Å | |
| C6 | N7 | sing | 1.47Å | 1.43Å | |
| C15 | N16 | doub | 1.32Å | 1.35Å | Aromatic |
| C19 | C17 | sing | 1.48Å | 1.47Å | |
| O5 | C4 | sing | 1.43Å | 1.47Å | |
| C9 | N16 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| N7 | C17 | sing | 1.34Å | 1.35Å | |
| N7 | C8 | sing | 1.47Å | 1.46Å | |
| C17 | O18 | doub | 1.22Å | 1.22Å | |
| C38 | C3 | sing | 1.53Å | 1.49Å | |
| C38 | C37 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C1 | sing | 1.53Å | 1.52Å | |
| C3 | C37 | sing | 1.53Å | 1.50Å | |
| C1 | O2 | sing | 1.43Å | 1.41Å | |
| C1 | H39 | sing | 1.09Å | 1.10Å | |
| C1 | H40 | sing | 1.09Å | 1.10Å | |
| C8 | H44 | sing | 1.09Å | 1.10Å | |
| C8 | H45 | sing | 1.09Å | 1.10Å | |
| C10 | H46 | sing | 1.08Å | 1.08Å | |
| C11 | H47 | sing | 1.08Å | 1.08Å | |
| C15 | H48 | sing | 1.08Å | 1.08Å | |
| C22 | H50 | sing | 1.08Å | 1.08Å | |
| C27 | H51 | sing | 1.09Å | 1.10Å | |
| C27 | H53 | sing | 1.09Å | 1.10Å | |
| C27 | H52 | sing | 1.09Å | 1.10Å | |
| C28 | H54 | sing | 1.09Å | 1.10Å | |
| C28 | H56 | sing | 1.09Å | 1.10Å | |
| C28 | H55 | sing | 1.09Å | 1.10Å | |
| C31 | H58 | sing | 1.08Å | 1.08Å | |
| C35 | H60 | sing | 1.08Å | 1.08Å | |
| C36 | H61 | sing | 1.08Å | 1.08Å | |
| C37 | H62 | sing | 1.09Å | 1.10Å | |
| C37 | H63 | sing | 1.09Å | 1.10Å | |
| C38 | H65 | sing | 1.09Å | 1.10Å | |
| C38 | H64 | sing | 1.09Å | 1.10Å | |
| O2 | H43 | sing | 0.97Å | 0.95Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C20 | H49 | sing | 1.08Å | 1.08Å | |
| O29 | H57 | sing | 0.97Å | 0.95Å | |
| C32 | H59 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C33 | C35 | 119.0° | 120.0° |
| CL1 | C33 | C32 | 119.5° | 120.0° |
| C35 | C33 | C32 | 121.4° | 120.0° |
| C33 | C35 | C36 | 119.3° | 119.9° |
| C33 | C35 | H60 | 120.3° | 120.0° |
| C33 | C32 | C31 | 118.9° | 120.0° |
| C33 | C32 | H59 | 120.5° | 120.0° |
| C35 | C36 | C30 | 121.4° | 120.1° |
| C36 | C35 | H60 | 120.4° | 120.0° |
| C35 | C36 | H61 | 119.3° | 119.9° |
| C28 | C26 | C21 | 111.6° | 109.5° |
| C28 | C26 | O29 | 105.7° | 109.5° |
| C28 | C26 | C27 | 110.2° | 109.4° |
| C26 | C28 | H54 | 109.5° | 109.5° |
| C26 | C28 | H56 | 109.4° | 109.5° |
| C26 | C28 | H55 | 109.4° | 109.5° |
| C32 | C31 | C30 | 121.2° | 120.0° |
| C32 | C31 | H58 | 119.4° | 120.1° |
| C31 | C32 | H59 | 120.5° | 120.0° |
| C36 | C30 | C31 | 117.6° | 120.0° |
| C36 | C30 | C6 | 120.0° | 120.0° |
| C30 | C36 | H61 | 119.3° | 120.0° |
| N14 | C13 | C12 | 178.1° | 180.0° |
| F24 | C23 | C22 | 119.6° | 120.1° |
| F24 | C23 | C25 | 121.4° | 120.1° |
| C13 | C12 | C11 | 120.4° | 120.6° |
| C13 | C12 | C15 | 122.0° | 120.5° |
| C23 | C22 | C21 | 122.3° | 120.2° |
| C22 | C23 | C25 | 119.0° | 119.9° |
| C23 | C22 | H50 | 118.8° | 119.9° |
| C22 | C21 | C26 | 121.4° | 119.9° |
| C22 | C21 | C20 | 118.0° | 120.3° |
| C21 | C22 | H50 | 118.8° | 119.9° |
| C21 | C26 | O29 | 105.9° | 109.5° |
| C21 | C26 | C27 | 113.2° | 109.5° |
| C26 | C21 | C20 | 120.5° | 119.8° |
| O29 | C26 | C27 | 110.0° | 109.4° |
| C26 | O29 | H57 | 109.5° | 114.0° |
| C26 | C27 | H51 | 109.5° | 109.5° |
| C26 | C27 | H53 | 109.5° | 109.5° |
| C26 | C27 | H52 | 109.5° | 109.5° |
| C31 | C30 | C6 | 122.2° | 120.0° |
| C30 | C31 | H58 | 119.4° | 119.9° |
| C30 | C6 | C25 | 107.4° | 110.2° |
| C30 | C6 | O5 | 102.9° | 110.1° |
| C30 | C6 | N7 | 109.0° | 110.1° |
| C23 | C25 | C6 | 131.6° | 133.2° |
| C23 | C25 | C19 | 119.4° | 120.4° |
| C21 | C20 | C19 | 119.7° | 119.9° |
| C21 | C20 | H49 | 120.2° | 120.0° |
| C12 | C11 | C10 | 120.0° | 118.3° |
| C11 | C12 | C15 | 117.6° | 118.9° |
| C12 | C11 | H47 | 120.0° | 120.8° |
| C11 | C10 | C9 | 118.8° | 119.4° |
| C11 | C10 | H46 | 120.6° | 120.3° |
| C10 | C11 | H47 | 120.0° | 120.9° |
| C12 | C15 | N16 | 123.3° | 120.5° |
| C12 | C15 | H48 | 118.4° | 119.7° |
| C6 | C25 | C19 | 108.6° | 106.4° |
| C25 | C6 | O5 | 119.0° | 110.1° |
| C25 | C6 | N7 | 102.3° | 106.2° |
| C25 | C19 | C20 | 121.6° | 119.4° |
| C25 | C19 | C17 | 108.8° | 108.3° |
| C20 | C19 | C17 | 129.6° | 132.3° |
| C19 | C20 | H49 | 120.2° | 120.1° |
| C10 | C9 | N16 | 122.5° | 121.0° |
| C10 | C9 | C8 | 121.7° | 119.5° |
| C9 | C10 | H46 | 120.6° | 120.3° |
| O5 | C6 | N7 | 115.9° | 110.1° |
| C6 | O5 | C4 | 111.9° | 114.0° |
| C6 | N7 | C17 | 114.0° | 108.8° |
| C6 | N7 | C8 | 123.3° | 125.6° |
| C15 | N16 | C9 | 117.9° | 121.9° |
| N16 | C15 | H48 | 118.4° | 119.7° |
| C19 | C17 | N7 | 106.2° | 110.2° |
| C19 | C17 | O18 | 128.5° | 124.9° |
| O5 | C4 | C3 | 108.7° | 109.5° |
| O5 | C4 | H41 | 109.7° | 109.5° |
| O5 | C4 | H42 | 109.7° | 109.5° |
| N16 | C9 | C8 | 115.8° | 119.5° |
| C9 | C8 | N7 | 116.5° | 109.5° |
| C9 | C8 | H44 | 107.7° | 109.5° |
| C9 | C8 | H45 | 107.7° | 109.4° |
| C17 | N7 | C8 | 122.6° | 125.6° |
| N7 | C17 | O18 | 125.3° | 124.9° |
| N7 | C8 | H44 | 107.7° | 109.5° |
| N7 | C8 | H45 | 107.7° | 109.5° |
| C3 | C38 | C37 | 59.8° | 60.0° |
| C38 | C3 | C4 | 118.5° | 117.5° |
| C38 | C3 | C1 | 118.2° | 117.5° |
| C38 | C3 | C37 | 60.6° | 60.0° |
| C3 | C38 | H65 | 120.0° | 117.5° |
| C3 | C38 | H64 | 120.0° | 117.5° |
| C38 | C37 | C3 | 59.6° | 60.0° |
| C38 | C37 | H62 | 120.1° | 117.5° |
| C38 | C37 | H63 | 120.1° | 117.5° |
| C37 | C38 | H65 | 120.1° | 117.5° |
| C37 | C38 | H64 | 120.0° | 117.5° |
| C4 | C3 | C1 | 114.6° | 115.5° |
| C4 | C3 | C37 | 117.2° | 117.5° |
| C3 | C4 | H41 | 109.7° | 109.4° |
| C3 | C4 | H42 | 109.7° | 109.5° |
| C1 | C3 | C37 | 117.1° | 117.5° |
| C3 | C1 | O2 | 112.1° | 109.4° |
| C3 | C1 | H39 | 108.8° | 109.5° |
| C3 | C1 | H40 | 108.8° | 109.5° |
| C3 | C37 | H62 | 120.1° | 117.5° |
| C3 | C37 | H63 | 120.1° | 117.5° |
| O2 | C1 | H39 | 108.8° | 109.4° |
| O2 | C1 | H40 | 108.8° | 109.5° |
| C1 | O2 | H43 | 109.5° | 114.0° |
| H39 | C1 | H40 | 109.5° | 109.5° |
| H44 | C8 | H45 | 109.5° | 109.4° |
| H51 | C27 | H53 | 109.5° | 109.5° |
| H51 | C27 | H52 | 109.5° | 109.4° |
| H53 | C27 | H52 | 109.5° | 109.5° |
| H54 | C28 | H56 | 109.5° | 109.4° |
| H54 | C28 | H55 | 109.5° | 109.5° |
| H56 | C28 | H55 | 109.5° | 109.5° |
| H62 | C37 | H63 | 109.5° | 115.6° |
| H65 | C38 | H64 | 109.5° | 115.6° |
| H41 | C4 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C33 | C35 | C32 | 175.8° | 179.7° |
| CL1 | C33 | C35 | C36 | 178.0° | 180.0° |
| CL1 | C33 | C32 | C31 | 177.0° | 179.7° |
| CL1 | C33 | C35 | H60 | 2.0° | 0.5° |
| CL1 | C33 | C32 | H59 | 2.9° | 0.3° |
| C33 | C35 | C36 | H60 | 180.0° | 179.4° |
| C35 | C33 | C32 | C31 | 1.3° | 0.0° |
| C33 | C35 | C36 | C30 | 1.1° | 0.6° |
| C33 | C35 | C36 | H61 | 178.9° | 179.5° |
| C35 | C33 | C32 | H59 | 178.7° | 180.0° |
| C32 | C33 | C35 | C36 | 2.2° | 0.3° |
| C33 | C32 | C31 | H59 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.7° | 0.0° |
| C33 | C32 | C31 | H58 | 179.3° | 179.7° |
| C32 | C33 | C35 | H60 | 177.8° | 179.7° |
| C35 | C36 | C30 | H61 | 180.0° | 179.9° |
| C35 | C36 | C30 | C31 | 0.8° | 0.6° |
| C35 | C36 | C30 | C6 | 177.3° | 179.5° |
| C28 | C26 | C21 | C22 | 56.8° | 90.0° |
| C28 | C26 | C21 | O29 | 114.5° | 120.1° |
| C28 | C26 | C21 | C27 | 124.9° | 120.0° |
| C28 | C26 | O29 | C27 | 118.9° | 119.9° |
| C28 | C26 | C21 | C20 | 119.2° | 90.0° |
| C28 | C26 | C27 | H51 | 180.0° | 60.0° |
| C28 | C26 | C27 | H53 | 60.0° | 60.0° |
| C28 | C26 | C27 | H52 | 60.0° | 180.0° |
| C26 | C28 | H54 | H56 | 120.0° | 120.0° |
| C26 | C28 | H54 | H55 | 120.0° | 120.0° |
| C26 | C28 | H56 | H55 | 120.0° | 120.1° |
| C28 | C26 | O29 | H57 | 180.0° | 59.9° |
| C32 | C31 | C30 | C36 | 1.7° | 0.3° |
| C32 | C31 | C30 | H58 | 180.0° | 179.7° |
| C32 | C31 | C30 | C6 | 178.1° | 179.8° |
| C36 | C30 | C31 | C6 | 176.4° | 179.9° |
| C36 | C30 | C6 | C25 | 29.7° | 87.8° |
| C36 | C30 | C6 | O5 | 156.0° | 150.7° |
| C36 | C30 | C6 | N7 | 80.4° | 29.1° |
| C36 | C30 | C31 | H58 | 178.3° | 180.0° |
| C30 | C36 | C35 | H60 | 178.9° | 180.0° |
| N14 | C13 | C12 | C11 | 1.2° | 0.2° |
| N14 | C13 | C12 | C15 | 176.7° | 179.9° |
| F24 | C23 | C22 | C25 | 178.7° | 180.0° |
| F24 | C23 | C22 | C21 | 178.1° | 180.0° |
| F24 | C23 | C25 | C6 | 8.3° | 0.0° |
| F24 | C23 | C25 | C19 | 179.2° | 179.9° |
| F24 | C23 | C22 | H50 | 1.9° | 0.0° |
| C13 | C12 | C11 | C15 | 178.0° | 180.0° |
| C13 | C12 | C11 | C10 | 179.8° | 180.0° |
| C13 | C12 | C15 | N16 | 178.8° | 180.0° |
| C13 | C12 | C11 | H47 | 0.2° | 0.0° |
| C13 | C12 | C15 | H48 | 1.2° | 0.0° |
| C23 | C22 | C21 | H50 | 180.0° | 180.0° |
| C23 | C22 | C21 | C26 | 177.5° | 180.0° |
| C23 | C22 | C21 | C20 | 1.4° | 0.0° |
| C22 | C23 | C25 | C6 | 173.1° | 180.0° |
| C22 | C23 | C25 | C19 | 0.5° | 0.1° |
| C22 | C21 | C26 | C20 | 176.0° | 180.0° |
| C22 | C21 | C26 | O29 | 171.3° | 150.0° |
| C22 | C21 | C26 | C27 | 68.1° | 30.0° |
| C21 | C22 | C23 | C25 | 0.6° | 0.0° |
| C22 | C21 | C20 | C19 | 1.2° | 0.0° |
| C22 | C21 | C20 | H49 | 178.7° | 180.0° |
| C21 | C26 | O29 | C27 | 122.6° | 120.0° |
| C26 | C21 | C20 | C19 | 177.4° | 180.0° |
| C26 | C21 | C22 | H50 | 2.5° | 0.0° |
| C21 | C26 | C27 | H51 | 54.3° | 60.0° |
| C21 | C26 | C27 | H53 | 65.7° | 180.0° |
| C21 | C26 | C27 | H52 | 174.3° | 60.0° |
| C21 | C26 | C28 | H54 | 180.0° | 60.0° |
| C21 | C26 | C28 | H56 | 60.0° | 180.0° |
| C21 | C26 | C28 | H55 | 60.0° | 60.0° |
| C26 | C21 | C20 | H49 | 2.6° | 0.0° |
| C21 | C26 | O29 | H57 | 61.5° | 180.0° |
| O29 | C26 | C21 | C20 | 4.7° | 30.0° |
| O29 | C26 | C27 | H51 | 63.9° | 180.0° |
| O29 | C26 | C27 | H53 | 176.1° | 60.0° |
| O29 | C26 | C27 | H52 | 56.1° | 60.0° |
| O29 | C26 | C28 | H54 | 65.4° | 60.0° |
| O29 | C26 | C28 | H56 | 174.6° | 59.9° |
| O29 | C26 | C28 | H55 | 54.6° | 180.0° |
| C27 | C26 | C21 | C20 | 115.9° | 150.0° |
| C26 | C27 | H51 | H53 | 120.0° | 120.1° |
| C26 | C27 | H51 | H52 | 120.0° | 120.0° |
| C26 | C27 | H53 | H52 | 120.0° | 120.1° |
| C27 | C26 | C28 | H54 | 53.4° | 180.0° |
| C27 | C26 | C28 | H56 | 66.6° | 60.0° |
| C27 | C26 | C28 | H55 | 173.4° | 60.0° |
| C27 | C26 | O29 | H57 | 61.1° | 60.0° |
| C31 | C30 | C6 | C25 | 146.6° | 92.3° |
| C31 | C30 | C6 | O5 | 20.3° | 29.3° |
| C31 | C30 | C6 | N7 | 103.3° | 150.9° |
| C31 | C30 | C36 | H61 | 179.2° | 179.5° |
| C30 | C31 | C32 | H59 | 179.3° | 180.0° |
| C30 | C6 | C25 | C23 | 62.2° | 60.8° |
| C30 | C6 | C25 | O5 | 116.1° | 121.6° |
| C30 | C6 | C25 | N7 | 114.7° | 119.2° |
| C30 | C6 | C25 | C19 | 111.0° | 119.2° |
| C30 | C6 | O5 | N7 | 118.9° | 121.6° |
| C30 | C6 | O5 | C4 | 175.7° | 172.1° |
| C30 | C6 | N7 | C17 | 111.8° | 119.2° |
| C30 | C6 | N7 | C8 | 64.8° | 60.8° |
| C6 | C30 | C31 | H58 | 1.9° | 0.1° |
| C6 | C30 | C36 | H61 | 2.8° | 0.4° |
| C23 | C25 | C6 | C19 | 173.2° | 179.9° |
| C23 | C25 | C19 | C20 | 0.7° | 0.1° |
| C23 | C25 | C6 | O5 | 54.0° | 60.8° |
| C23 | C25 | C6 | N7 | 176.9° | 180.0° |
| C23 | C25 | C19 | C17 | 178.5° | 180.0° |
| C25 | C23 | C22 | H50 | 179.4° | 180.0° |
| C21 | C20 | C19 | C25 | 0.2° | 0.1° |
| C21 | C20 | C19 | H49 | 180.0° | 179.9° |
| C21 | C20 | C19 | C17 | 179.2° | 179.9° |
| C20 | C21 | C22 | H50 | 178.6° | 180.0° |
| C12 | C11 | C10 | H47 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 2.8° | 0.0° |
| C11 | C12 | C15 | N16 | 0.8° | 0.0° |
| C12 | C11 | C10 | H46 | 177.2° | 179.7° |
| C11 | C12 | C15 | H48 | 179.2° | 180.0° |
| C10 | C11 | C12 | C15 | 2.2° | 0.0° |
| C11 | C10 | C9 | H46 | 180.0° | 179.7° |
| C11 | C10 | C9 | N16 | 2.2° | 0.0° |
| C11 | C10 | C9 | C8 | 179.6° | 179.8° |
| C12 | C15 | N16 | H48 | 180.0° | 180.0° |
| C12 | C15 | N16 | C9 | 0.2° | 0.0° |
| C15 | C12 | C11 | H47 | 177.8° | 180.0° |
| C6 | C25 | C19 | C20 | 174.8° | 180.0° |
| C25 | C6 | O5 | N7 | 122.6° | 116.8° |
| C6 | C25 | C19 | C17 | 4.3° | 0.1° |
| C25 | C6 | O5 | C4 | 65.8° | 50.5° |
| C25 | C6 | N7 | C17 | 1.7° | 0.0° |
| C25 | C6 | N7 | C8 | 178.2° | 180.0° |
| C25 | C19 | C20 | C17 | 179.0° | 179.9° |
| C19 | C25 | C6 | O5 | 132.8° | 119.2° |
| C19 | C25 | C6 | N7 | 3.7° | 0.0° |
| C25 | C19 | C17 | N7 | 3.3° | 0.1° |
| C25 | C19 | C17 | O18 | 176.6° | 180.0° |
| C25 | C19 | C20 | H49 | 179.7° | 180.0° |
| C20 | C19 | C17 | N7 | 175.8° | 179.9° |
| C20 | C19 | C17 | O18 | 4.3° | 0.1° |
| C10 | C9 | N16 | C15 | 0.9° | 0.0° |
| C10 | C9 | N16 | C8 | 178.3° | 179.8° |
| C10 | C9 | C8 | N7 | 37.6° | 95.2° |
| C10 | C9 | C8 | H44 | 83.4° | 24.9° |
| C10 | C9 | C8 | H45 | 158.6° | 144.8° |
| C9 | C10 | C11 | H47 | 177.1° | 180.0° |
| O5 | C6 | N7 | C17 | 132.7° | 119.2° |
| O5 | C6 | N7 | C8 | 50.7° | 60.8° |
| C6 | O5 | C4 | C3 | 173.6° | 171.9° |
| C6 | O5 | C4 | H41 | 53.7° | 68.1° |
| C6 | O5 | C4 | H42 | 66.5° | 51.9° |
| C6 | N7 | C17 | C19 | 0.8° | 0.0° |
| N7 | C6 | O5 | C4 | 56.8° | 66.3° |
| C6 | N7 | C8 | C9 | 88.0° | 109.6° |
| C6 | N7 | C17 | C8 | 176.6° | 180.0° |
| C6 | N7 | C17 | O18 | 179.0° | 180.0° |
| C6 | N7 | C8 | H44 | 151.0° | 130.3° |
| C6 | N7 | C8 | H45 | 33.1° | 10.4° |
| C15 | N16 | C9 | C8 | 179.1° | 179.8° |
| C19 | C17 | N7 | O18 | 179.9° | 180.0° |
| C19 | C17 | N7 | C8 | 175.8° | 180.0° |
| C17 | C19 | C20 | H49 | 0.8° | 0.1° |
| O5 | C4 | C3 | C38 | 84.8° | 91.2° |
| O5 | C4 | C3 | H41 | 119.9° | 120.0° |
| O5 | C4 | C3 | H42 | 119.9° | 120.0° |
| O5 | C4 | C3 | C1 | 62.4° | 54.5° |
| O5 | C4 | C3 | C37 | 154.5° | 159.9° |
| O5 | C4 | H41 | H42 | 120.4° | 120.0° |
| N16 | C9 | C8 | N7 | 144.1° | 85.0° |
| N16 | C9 | C8 | H44 | 94.9° | 154.9° |
| N16 | C9 | C8 | H45 | 23.1° | 35.0° |
| N16 | C9 | C10 | H46 | 177.8° | 179.7° |
| C9 | N16 | C15 | H48 | 179.8° | 180.0° |
| C9 | C8 | N7 | C17 | 88.3° | 70.4° |
| C9 | C8 | N7 | H44 | 121.0° | 120.0° |
| C9 | C8 | N7 | H45 | 121.0° | 120.0° |
| C9 | C8 | H44 | H45 | 116.8° | 119.9° |
| C8 | C9 | C10 | H46 | 0.4° | 0.1° |
| C17 | N7 | C8 | H44 | 32.7° | 49.7° |
| C17 | N7 | C8 | H45 | 150.7° | 169.7° |
| C8 | N7 | C17 | O18 | 4.4° | 0.0° |
| N7 | C8 | H44 | H45 | 116.8° | 120.0° |
| C3 | C38 | C37 | H65 | 109.4° | 107.5° |
| C3 | C38 | C37 | H64 | 109.4° | 107.5° |
| C38 | C3 | C4 | C1 | 147.2° | 145.7° |
| C38 | C3 | C4 | C37 | 69.6° | 68.6° |
| C38 | C3 | C1 | C37 | 69.5° | 68.6° |
| C38 | C3 | C1 | O2 | 167.1° | 110.3° |
| C38 | C3 | C1 | H39 | 72.6° | 9.7° |
| C38 | C3 | C1 | H40 | 46.7° | 129.7° |
| C3 | C38 | C37 | H62 | 109.3° | 107.5° |
| C3 | C38 | C37 | H63 | 109.4° | 107.5° |
| C3 | C38 | H65 | H64 | 144.8° | 145.7° |
| C38 | C3 | C4 | H41 | 35.0° | 148.7° |
| C38 | C3 | C4 | H42 | 155.2° | 28.8° |
| C38 | C37 | H62 | H63 | 145.0° | 145.7° |
| C37 | C38 | H65 | H64 | 144.9° | 145.7° |
| C4 | C3 | C1 | C37 | 143.2° | 145.7° |
| C4 | C3 | C1 | O2 | 45.6° | 35.4° |
| C4 | C3 | C1 | H39 | 74.8° | 155.4° |
| C4 | C3 | C1 | H40 | 166.0° | 84.6° |
| C4 | C3 | C37 | H62 | 141.6° | 0.0° |
| C4 | C3 | C37 | H63 | 0.3° | 145.0° |
| C4 | C3 | C38 | H65 | 143.6° | 145.0° |
| C4 | C3 | C38 | H64 | 2.5° | 0.0° |
| C3 | C4 | H41 | H42 | 120.4° | 120.0° |
| C3 | C1 | O2 | H39 | 120.4° | 119.9° |
| C3 | C1 | O2 | H40 | 120.4° | 120.0° |
| C3 | C1 | H39 | H40 | 118.8° | 120.0° |
| C1 | C3 | C37 | H62 | 0.6° | 145.0° |
| C1 | C3 | C37 | H63 | 142.0° | 0.0° |
| C1 | C3 | C38 | H65 | 2.5° | 0.0° |
| C1 | C3 | C38 | H64 | 143.6° | 145.0° |
| C3 | C1 | O2 | H43 | 180.0° | 180.0° |
| C1 | C3 | C4 | H41 | 177.7° | 65.5° |
| C1 | C3 | C4 | H42 | 57.5° | 174.5° |
| C37 | C3 | C1 | O2 | 97.6° | 178.9° |
| C37 | C3 | C1 | H39 | 142.0° | 59.0° |
| C37 | C3 | C1 | H40 | 22.8° | 61.1° |
| C3 | C37 | H62 | H63 | 145.0° | 145.7° |
| C37 | C3 | C4 | H41 | 34.6° | 80.1° |
| C37 | C3 | C4 | H42 | 85.6° | 39.8° |
| O2 | C1 | H39 | H40 | 118.8° | 120.0° |
| H39 | C1 | O2 | H43 | 59.6° | 60.1° |
| H40 | C1 | O2 | H43 | 59.6° | 60.0° |
| H46 | C10 | C11 | H47 | 2.9° | 0.3° |
| H51 | C27 | H53 | H52 | 120.0° | 119.9° |
| H54 | C28 | H56 | H55 | 120.0° | 120.0° |
| H58 | C31 | C32 | H59 | 0.7° | 0.3° |
| H60 | C35 | C36 | H61 | 1.1° | 0.1° |
| H62 | C37 | C38 | H65 | 0.1° | 145.0° |
| H62 | C37 | C38 | H64 | 141.3° | 0.0° |
| H63 | C37 | C38 | H65 | 141.2° | 0.0° |
| H63 | C37 | C38 | H64 | 0.0° | 145.0° |
