2U5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C32 | C14 | sing | 1.53Å | 1.54Å | |
| C33 | C14 | sing | 1.53Å | 1.56Å | |
| CL2 | C19 | sing | 1.74Å | 1.78Å | |
| C14 | C13 | sing | 1.53Å | 1.49Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.44Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C15 | sing | 1.53Å | 1.58Å | |
| C13 | N1 | sing | 1.47Å | 1.52Å | |
| C20 | C21 | doub | 1.38Å | 1.43Å | Aromatic |
| O1 | C5 | doub | 1.21Å | 1.26Å | |
| C6 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.51Å | 1.60Å | |
| C15 | S1 | sing | 1.81Å | 1.78Å | |
| N1 | C5 | sing | 1.33Å | 1.40Å | |
| N1 | C1 | sing | 1.46Å | 1.50Å | |
| C5 | C4 | sing | 1.50Å | 1.53Å | |
| C16 | C4 | sing | 1.53Å | 1.53Å | |
| C16 | C26 | sing | 1.51Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C24 | C22 | sing | 1.53Å | 1.51Å | |
| O5 | S1 | doub | 1.42Å | 1.48Å | |
| C4 | C34 | sing | 1.53Å | 1.59Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | N2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | C7 | sing | 1.51Å | 1.57Å | |
| C2 | C3 | sing | 1.53Å | 1.58Å | |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| S1 | C22 | sing | 1.81Å | 1.83Å | |
| S1 | O4 | doub | 1.42Å | 1.49Å | |
| C12 | C7 | doub | 1.38Å | 1.44Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| CL1 | C11 | sing | 1.74Å | 1.78Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| N2 | C30 | doub | 1.32Å | 1.36Å | Aromatic |
| C22 | C25 | sing | 1.53Å | 1.51Å | |
| C28 | C29 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C30 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
| C29 | C31 | sing | 1.48Å | 1.56Å | |
| C8 | C9 | doub | 1.38Å | 1.42Å | Aromatic |
| C31 | O2 | doub | 1.21Å | 1.26Å | |
| C31 | O3 | sing | 1.35Å | 1.27Å | |
| C10 | C9 | sing | 1.38Å | 1.43Å | Aromatic |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.08Å | 1.08Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å | |
| C30 | H13 | sing | 1.08Å | 1.08Å | |
| C34 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C34 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C17 | H35 | sing | 1.08Å | 1.08Å | |
| C18 | H36 | sing | 1.08Å | 1.08Å | |
| C20 | H37 | sing | 1.08Å | 1.08Å | |
| C21 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C32 | C14 | 60.6° | 60.0° |
| C32 | C33 | C14 | 59.1° | 60.0° |
| C33 | C32 | H19 | 119.9° | 117.5° |
| C33 | C32 | H20 | 119.9° | 117.5° |
| C32 | C33 | H21 | 120.2° | 117.5° |
| C32 | C33 | H22 | 120.1° | 117.5° |
| C32 | C14 | C33 | 60.3° | 60.0° |
| C32 | C14 | C13 | 114.6° | 117.5° |
| C32 | C14 | H18 | 118.7° | 117.4° |
| C14 | C32 | H19 | 119.9° | 117.5° |
| C14 | C32 | H20 | 119.9° | 117.5° |
| C33 | C14 | C13 | 111.1° | 117.6° |
| C33 | C14 | H18 | 118.2° | 117.4° |
| C14 | C33 | H21 | 120.2° | 117.6° |
| C14 | C33 | H22 | 120.2° | 117.4° |
| CL2 | C19 | C18 | 117.4° | 120.0° |
| CL2 | C19 | C20 | 119.4° | 120.0° |
| C14 | C13 | C15 | 108.5° | 109.5° |
| C14 | C13 | N1 | 110.3° | 109.5° |
| C14 | C13 | H17 | 109.6° | 109.5° |
| C13 | C14 | H18 | 119.7° | 115.6° |
| C19 | C18 | C17 | 120.4° | 120.0° |
| C18 | C19 | C20 | 123.1° | 119.9° |
| C19 | C18 | H36 | 119.8° | 120.0° |
| C18 | C17 | C6 | 116.8° | 120.0° |
| C18 | C17 | H35 | 121.6° | 120.0° |
| C17 | C18 | H36 | 119.8° | 120.0° |
| C19 | C20 | C21 | 117.5° | 120.0° |
| C19 | C20 | H37 | 121.2° | 120.0° |
| C17 | C6 | C21 | 121.8° | 120.1° |
| C17 | C6 | C1 | 119.8° | 119.9° |
| C6 | C17 | H35 | 121.6° | 120.0° |
| C15 | C13 | N1 | 110.8° | 109.5° |
| C13 | C15 | S1 | 111.6° | 109.5° |
| C15 | C13 | H17 | 108.4° | 109.5° |
| C13 | C15 | H23 | 109.0° | 109.5° |
| C13 | C15 | H24 | 108.9° | 109.4° |
| C13 | N1 | C5 | 120.7° | 117.9° |
| C13 | N1 | C1 | 114.6° | 117.9° |
| N1 | C13 | H17 | 109.1° | 109.5° |
| C20 | C21 | C6 | 120.2° | 120.0° |
| C21 | C20 | H37 | 121.3° | 120.0° |
| C20 | C21 | H38 | 119.9° | 120.0° |
| O1 | C5 | N1 | 121.8° | 118.3° |
| O1 | C5 | C4 | 118.6° | 118.3° |
| C21 | C6 | C1 | 118.3° | 120.0° |
| C6 | C21 | H38 | 119.9° | 120.0° |
| C6 | C1 | N1 | 115.1° | 109.3° |
| C6 | C1 | C2 | 108.3° | 109.3° |
| C6 | C1 | H34 | 105.8° | 109.2° |
| C15 | S1 | O5 | 107.6° | 108.6° |
| C15 | S1 | C22 | 110.0° | 101.9° |
| C15 | S1 | O4 | 103.6° | 108.6° |
| S1 | C15 | H23 | 109.0° | 109.5° |
| S1 | C15 | H24 | 109.0° | 109.5° |
| C5 | N1 | C1 | 124.4° | 124.2° |
| N1 | C5 | C4 | 119.6° | 123.5° |
| N1 | C1 | C2 | 114.1° | 110.4° |
| N1 | C1 | H34 | 106.9° | 109.2° |
| C5 | C4 | C16 | 109.8° | 109.3° |
| C5 | C4 | C34 | 101.8° | 109.4° |
| C5 | C4 | C3 | 112.1° | 109.9° |
| C4 | C16 | C26 | 119.4° | 109.5° |
| C16 | C4 | C34 | 106.3° | 109.4° |
| C16 | C4 | C3 | 118.4° | 109.4° |
| C4 | C16 | H8 | 107.0° | 109.5° |
| C4 | C16 | H9 | 106.9° | 109.5° |
| C16 | C26 | C27 | 121.1° | 119.5° |
| C16 | C26 | N2 | 117.4° | 119.5° |
| C26 | C16 | H8 | 106.9° | 109.4° |
| C26 | C16 | H9 | 107.0° | 109.4° |
| C1 | C2 | C7 | 109.5° | 109.6° |
| C1 | C2 | C3 | 104.9° | 108.7° |
| C1 | C2 | H5 | 109.4° | 109.7° |
| C2 | C1 | H34 | 106.0° | 109.3° |
| C24 | C22 | S1 | 110.8° | 109.5° |
| C24 | C22 | C23 | 113.7° | 109.5° |
| C24 | C22 | C25 | 105.6° | 109.5° |
| C22 | C24 | H25 | 109.5° | 109.5° |
| C22 | C24 | H26 | 109.5° | 109.5° |
| C22 | C24 | H27 | 109.5° | 109.5° |
| O5 | S1 | C22 | 109.1° | 108.6° |
| O5 | S1 | O4 | 119.0° | 119.2° |
| C34 | C4 | C3 | 106.9° | 109.4° |
| C4 | C34 | H14 | 109.5° | 109.5° |
| C4 | C34 | H15 | 109.5° | 109.5° |
| C4 | C34 | H16 | 109.5° | 109.5° |
| C4 | C3 | C2 | 110.1° | 108.4° |
| C4 | C3 | H6 | 109.3° | 109.7° |
| C4 | C3 | H7 | 109.3° | 109.7° |
| C27 | C26 | N2 | 121.2° | 121.0° |
| C26 | C27 | C28 | 121.2° | 119.4° |
| C26 | C27 | H10 | 119.4° | 120.3° |
| C26 | N2 | C30 | 119.7° | 121.9° |
| C7 | C2 | C3 | 114.2° | 109.6° |
| C2 | C7 | C12 | 120.8° | 120.0° |
| C2 | C7 | C8 | 121.7° | 120.0° |
| C7 | C2 | H5 | 109.5° | 109.6° |
| C3 | C2 | H5 | 109.3° | 109.6° |
| C2 | C3 | H6 | 109.3° | 109.7° |
| C2 | C3 | H7 | 109.3° | 109.7° |
| C27 | C28 | C29 | 116.0° | 118.3° |
| C28 | C27 | H10 | 119.4° | 120.3° |
| C27 | C28 | H11 | 122.0° | 120.9° |
| C22 | S1 | O4 | 107.3° | 108.6° |
| S1 | C22 | C23 | 108.0° | 109.5° |
| S1 | C22 | C25 | 108.5° | 109.5° |
| C7 | C12 | C11 | 120.2° | 120.0° |
| C12 | C7 | C8 | 117.5° | 120.0° |
| C7 | C12 | H1 | 119.9° | 120.0° |
| C12 | C11 | CL1 | 119.9° | 120.0° |
| C12 | C11 | C10 | 122.9° | 120.0° |
| C11 | C12 | H1 | 119.9° | 120.0° |
| CL1 | C11 | C10 | 117.2° | 120.0° |
| C23 | C22 | C25 | 110.1° | 109.4° |
| C22 | C23 | H31 | 109.5° | 109.4° |
| C22 | C23 | H32 | 109.5° | 109.5° |
| C22 | C23 | H33 | 109.5° | 109.5° |
| N2 | C30 | C29 | 121.1° | 120.6° |
| N2 | C30 | H13 | 119.4° | 119.7° |
| C22 | C25 | H28 | 109.5° | 109.5° |
| C22 | C25 | H29 | 109.5° | 109.5° |
| C22 | C25 | H30 | 109.5° | 109.5° |
| C28 | C29 | C30 | 120.5° | 118.9° |
| C28 | C29 | C31 | 119.8° | 120.5° |
| C29 | C28 | H11 | 122.0° | 120.8° |
| C7 | C8 | C9 | 122.0° | 120.0° |
| C7 | C8 | H4 | 119.0° | 120.0° |
| C11 | C10 | C9 | 118.6° | 120.0° |
| C11 | C10 | H2 | 120.7° | 120.0° |
| C30 | C29 | C31 | 119.7° | 120.6° |
| C29 | C30 | H13 | 119.4° | 119.7° |
| C29 | C31 | O2 | 116.6° | 120.0° |
| C29 | C31 | O3 | 118.6° | 120.0° |
| C8 | C9 | C10 | 118.7° | 120.0° |
| C8 | C9 | H3 | 120.6° | 120.0° |
| C9 | C8 | H4 | 119.0° | 120.0° |
| O2 | C31 | O3 | 124.0° | 120.0° |
| C31 | O3 | H12 | 109.5° | 117.0° |
| C9 | C10 | H2 | 120.7° | 120.0° |
| C10 | C9 | H3 | 120.7° | 120.0° |
| H6 | C3 | H7 | 109.4° | 109.7° |
| H8 | C16 | H9 | 109.5° | 109.4° |
| H14 | C34 | H15 | 109.4° | 109.4° |
| H14 | C34 | H16 | 109.5° | 109.4° |
| H15 | C34 | H16 | 109.5° | 109.5° |
| H19 | C32 | H20 | 109.5° | 115.5° |
| H21 | C33 | H22 | 109.5° | 115.6° |
| H23 | C15 | H24 | 109.4° | 109.4° |
| H25 | C24 | H26 | 109.5° | 109.5° |
| H25 | C24 | H27 | 109.4° | 109.5° |
| H26 | C24 | H27 | 109.5° | 109.4° |
| H28 | C25 | H29 | 109.5° | 109.5° |
| H28 | C25 | H30 | 109.5° | 109.5° |
| H29 | C25 | H30 | 109.4° | 109.4° |
| H31 | C23 | H32 | 109.5° | 109.4° |
| H31 | C23 | H33 | 109.4° | 109.5° |
| H32 | C23 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C32 | C14 | H19 | 109.6° | 107.5° |
| C33 | C32 | C14 | H20 | 109.6° | 107.4° |
| C32 | C33 | C14 | H21 | 109.2° | 107.5° |
| C32 | C33 | C14 | H22 | 109.2° | 107.5° |
| C33 | C32 | C14 | C13 | 101.3° | 107.6° |
| C33 | C32 | C14 | H18 | 108.0° | 107.5° |
| C33 | C32 | H19 | H20 | 144.4° | 145.6° |
| C32 | C33 | H21 | H22 | 145.2° | 145.7° |
| C32 | C14 | C13 | H18 | 150.4° | 145.6° |
| C32 | C14 | C13 | C15 | 139.2° | 64.9° |
| C32 | C14 | C13 | N1 | 99.2° | 175.1° |
| C32 | C14 | C13 | H17 | 21.0° | 55.1° |
| C14 | C32 | H19 | H20 | 144.4° | 145.8° |
| C33 | C14 | C13 | H18 | 143.5° | 145.7° |
| C33 | C14 | C13 | C15 | 73.2° | 3.8° |
| C33 | C14 | C13 | N1 | 165.3° | 116.2° |
| C33 | C14 | C13 | H17 | 45.1° | 123.8° |
| C14 | C33 | H21 | H22 | 145.3° | 145.7° |
| CL2 | C19 | C18 | C20 | 176.5° | 180.0° |
| CL2 | C19 | C18 | C17 | 178.2° | 180.0° |
| CL2 | C19 | C20 | C21 | 179.1° | 180.0° |
| CL2 | C19 | C18 | H36 | 1.8° | 0.0° |
| CL2 | C19 | C20 | H37 | 0.9° | 0.1° |
| C14 | C13 | C15 | N1 | 121.3° | 120.0° |
| C14 | C13 | C15 | H17 | 118.9° | 120.0° |
| C14 | C13 | N1 | H17 | 120.5° | 120.0° |
| C14 | C13 | C15 | S1 | 175.0° | 175.0° |
| C14 | C13 | N1 | C5 | 60.0° | 60.0° |
| C14 | C13 | N1 | C1 | 126.6° | 120.0° |
| C13 | C14 | C32 | H19 | 149.1° | 0.1° |
| C13 | C14 | C32 | H20 | 8.3° | 145.0° |
| C13 | C14 | C33 | H21 | 2.1° | 145.0° |
| C13 | C14 | C33 | H22 | 143.7° | 0.0° |
| C14 | C13 | C15 | H23 | 54.6° | 55.0° |
| C14 | C13 | C15 | H24 | 64.7° | 65.0° |
| C19 | C18 | C17 | H36 | 180.0° | 179.9° |
| C19 | C18 | C17 | C6 | 3.8° | 0.1° |
| C18 | C19 | C20 | C21 | 4.4° | 0.0° |
| C19 | C18 | C17 | H35 | 176.3° | 180.0° |
| C18 | C19 | C20 | H37 | 175.6° | 179.9° |
| C17 | C18 | C19 | C20 | 5.3° | 0.1° |
| C18 | C17 | C6 | H35 | 180.0° | 179.9° |
| C18 | C17 | C6 | C21 | 1.8° | 0.0° |
| C18 | C17 | C6 | C1 | 177.5° | 179.8° |
| C19 | C20 | C21 | H37 | 180.0° | 179.9° |
| C19 | C20 | C21 | C6 | 2.3° | 0.0° |
| C20 | C19 | C18 | H36 | 174.7° | 180.0° |
| C19 | C20 | C21 | H38 | 177.7° | 179.7° |
| C17 | C6 | C21 | C20 | 1.2° | 0.0° |
| C17 | C6 | C21 | C1 | 175.7° | 179.8° |
| C17 | C6 | C1 | N1 | 74.4° | 39.7° |
| C17 | C6 | C1 | C2 | 54.6° | 81.3° |
| C17 | C6 | C1 | H34 | 167.9° | 159.2° |
| C6 | C17 | C18 | H36 | 176.3° | 180.0° |
| C17 | C6 | C21 | H38 | 178.8° | 179.7° |
| C15 | C13 | N1 | H17 | 119.4° | 120.0° |
| C13 | C15 | S1 | H23 | 120.3° | 120.0° |
| C13 | C15 | S1 | H24 | 120.3° | 120.0° |
| C15 | C13 | N1 | C5 | 60.2° | 60.0° |
| C15 | C13 | N1 | C1 | 113.3° | 120.0° |
| C13 | C15 | S1 | O5 | 49.0° | 65.6° |
| C13 | C15 | S1 | C22 | 167.7° | 180.0° |
| C13 | C15 | S1 | O4 | 77.9° | 65.5° |
| C15 | C13 | C14 | H18 | 70.4° | 149.4° |
| C13 | C15 | H23 | H24 | 119.0° | 119.9° |
| C13 | N1 | C5 | O1 | 8.5° | 2.2° |
| C13 | N1 | C1 | C6 | 44.0° | 40.6° |
| N1 | C13 | C15 | S1 | 63.8° | 65.0° |
| C13 | N1 | C5 | C1 | 172.8° | 180.0° |
| C13 | N1 | C5 | C4 | 172.7° | 177.8° |
| C13 | N1 | C1 | C2 | 170.1° | 160.9° |
| N1 | C13 | C14 | H18 | 51.2° | 29.5° |
| N1 | C13 | C15 | H23 | 175.9° | 175.0° |
| N1 | C13 | C15 | H24 | 56.6° | 55.0° |
| C13 | N1 | C1 | H34 | 73.0° | 78.8° |
| C20 | C21 | C6 | H38 | 180.0° | 179.7° |
| C20 | C21 | C6 | C1 | 176.9° | 179.7° |
| O1 | C5 | N1 | C4 | 178.8° | 180.0° |
| O1 | C5 | N1 | C1 | 178.7° | 177.8° |
| O1 | C5 | C4 | C16 | 63.0° | 77.5° |
| O1 | C5 | C4 | C34 | 49.3° | 42.2° |
| O1 | C5 | C4 | C3 | 163.2° | 162.4° |
| C21 | C6 | C1 | N1 | 109.8° | 140.0° |
| C21 | C6 | C1 | C2 | 121.2° | 99.0° |
| C21 | C6 | C1 | H34 | 7.9° | 20.6° |
| C21 | C6 | C17 | H35 | 178.2° | 179.9° |
| C6 | C21 | C20 | H37 | 177.7° | 180.0° |
| C6 | C1 | N1 | C5 | 142.8° | 139.4° |
| C6 | C1 | N1 | C2 | 126.1° | 120.4° |
| C6 | C1 | N1 | H34 | 117.1° | 119.4° |
| C6 | C1 | C2 | H34 | 113.1° | 119.5° |
| C6 | C1 | C2 | C7 | 59.6° | 69.2° |
| C6 | C1 | C2 | C3 | 177.5° | 171.1° |
| C6 | C1 | C2 | H5 | 60.3° | 51.2° |
| C1 | C6 | C17 | H35 | 2.6° | 0.3° |
| C1 | C6 | C21 | H38 | 3.1° | 0.1° |
| C15 | S1 | C22 | C24 | 71.4° | 60.0° |
| C15 | S1 | O5 | C22 | 119.3° | 110.0° |
| C15 | S1 | O5 | O4 | 117.3° | 125.0° |
| C15 | S1 | C22 | O4 | 112.1° | 114.5° |
| C15 | S1 | C22 | C23 | 53.7° | 180.0° |
| C15 | S1 | C22 | C25 | 173.1° | 60.0° |
| S1 | C15 | C13 | H17 | 56.0° | 55.0° |
| S1 | C15 | H23 | H24 | 119.1° | 120.0° |
| N1 | C5 | C4 | C16 | 115.8° | 102.5° |
| C5 | N1 | C1 | C2 | 16.7° | 19.0° |
| N1 | C5 | C4 | C34 | 131.8° | 137.8° |
| N1 | C5 | C4 | C3 | 17.9° | 17.6° |
| C5 | N1 | C13 | H17 | 179.5° | 180.0° |
| C5 | N1 | C1 | H34 | 100.1° | 101.2° |
| C1 | N1 | C5 | C4 | 0.1° | 2.2° |
| N1 | C1 | C2 | H34 | 117.3° | 120.2° |
| N1 | C1 | C2 | C7 | 170.8° | 170.5° |
| N1 | C1 | C2 | C3 | 47.9° | 50.7° |
| N1 | C1 | C2 | H5 | 69.2° | 69.1° |
| C1 | N1 | C13 | H17 | 6.1° | 0.0° |
| C5 | C4 | C16 | C34 | 109.4° | 119.7° |
| C5 | C4 | C16 | C3 | 130.5° | 120.4° |
| C5 | C4 | C16 | C26 | 161.5° | 54.4° |
| C5 | C4 | C34 | C3 | 117.7° | 120.5° |
| C5 | C4 | C3 | C2 | 52.4° | 48.9° |
| C5 | C4 | C3 | H6 | 67.7° | 168.6° |
| C5 | C4 | C3 | H7 | 172.6° | 70.9° |
| C5 | C4 | C16 | H8 | 40.1° | 65.6° |
| C5 | C4 | C16 | H9 | 77.0° | 174.4° |
| C5 | C4 | C34 | H14 | 180.0° | 66.6° |
| C5 | C4 | C34 | H15 | 60.0° | 53.4° |
| C5 | C4 | C34 | H16 | 60.0° | 173.5° |
| C4 | C16 | C26 | H8 | 121.4° | 120.1° |
| C4 | C16 | C26 | H9 | 121.4° | 120.0° |
| C16 | C4 | C34 | C3 | 127.3° | 119.8° |
| C4 | C16 | C26 | C27 | 103.8° | 121.8° |
| C4 | C16 | C26 | N2 | 83.5° | 58.4° |
| C16 | C4 | C3 | C2 | 77.0° | 71.2° |
| C16 | C4 | C3 | H6 | 162.9° | 48.6° |
| C16 | C4 | C3 | H7 | 43.1° | 169.1° |
| C4 | C16 | H8 | H9 | 115.5° | 120.0° |
| C16 | C4 | C34 | H14 | 65.0° | 173.7° |
| C16 | C4 | C34 | H15 | 175.0° | 66.3° |
| C16 | C4 | C34 | H16 | 55.0° | 53.8° |
| C26 | C16 | C4 | C34 | 52.1° | 65.4° |
| C26 | C16 | C4 | C3 | 68.0° | 174.8° |
| C16 | C26 | C27 | N2 | 172.4° | 179.8° |
| C16 | C26 | C27 | C28 | 179.0° | 180.0° |
| C16 | C26 | N2 | C30 | 179.3° | 179.7° |
| C26 | C16 | H8 | H9 | 115.5° | 119.9° |
| C16 | C26 | C27 | H10 | 1.0° | 0.1° |
| C1 | C2 | C3 | C4 | 66.6° | 67.5° |
| C1 | C2 | C7 | C3 | 117.2° | 119.2° |
| C1 | C2 | C7 | H5 | 119.9° | 120.5° |
| C1 | C2 | C3 | H5 | 117.2° | 120.0° |
| C1 | C2 | C7 | C12 | 106.1° | 120.8° |
| C1 | C2 | C7 | C8 | 74.6° | 59.2° |
| C1 | C2 | C3 | H6 | 53.5° | 172.7° |
| C1 | C2 | C3 | H7 | 173.4° | 52.2° |
| C24 | C22 | S1 | O5 | 46.5° | 54.5° |
| C24 | C22 | S1 | C23 | 125.1° | 120.0° |
| C24 | C22 | S1 | C25 | 115.6° | 120.0° |
| C24 | C22 | S1 | O4 | 176.6° | 174.5° |
| C24 | C22 | C23 | C25 | 118.3° | 120.0° |
| C22 | C24 | H25 | H26 | 120.0° | 120.0° |
| C22 | C24 | H25 | H27 | 120.0° | 120.0° |
| C22 | C24 | H26 | H27 | 120.0° | 120.0° |
| C24 | C22 | C25 | H28 | 180.0° | 180.0° |
| C24 | C22 | C25 | H29 | 60.0° | 60.0° |
| C24 | C22 | C25 | H30 | 60.0° | 60.0° |
| C24 | C22 | C23 | H31 | 180.0° | 60.0° |
| C24 | C22 | C23 | H32 | 60.0° | 59.9° |
| C24 | C22 | C23 | H33 | 60.0° | 180.0° |
| O5 | S1 | C22 | O4 | 130.1° | 131.0° |
| O5 | S1 | C22 | C23 | 171.6° | 65.5° |
| O5 | S1 | C22 | C25 | 69.1° | 174.5° |
| O5 | S1 | C15 | H23 | 71.3° | 54.5° |
| O5 | S1 | C15 | H24 | 169.4° | 174.5° |
| C34 | C4 | C3 | C2 | 163.2° | 169.0° |
| C34 | C4 | C3 | H6 | 43.1° | 71.2° |
| C34 | C4 | C3 | H7 | 76.7° | 49.3° |
| C34 | C4 | C16 | H8 | 69.3° | 174.6° |
| C34 | C4 | C16 | H9 | 173.5° | 54.6° |
| C4 | C34 | H14 | H15 | 120.0° | 120.0° |
| C4 | C34 | H14 | H16 | 120.0° | 120.0° |
| C4 | C34 | H15 | H16 | 120.0° | 120.1° |
| C4 | C3 | C2 | C7 | 173.6° | 172.7° |
| C4 | C3 | C2 | H6 | 120.1° | 119.8° |
| C4 | C3 | C2 | H7 | 120.1° | 119.7° |
| C4 | C3 | C2 | H5 | 50.6° | 52.4° |
| C4 | C3 | H6 | H7 | 119.7° | 120.5° |
| C3 | C4 | C16 | H8 | 170.6° | 54.8° |
| C3 | C4 | C16 | H9 | 53.5° | 65.2° |
| C3 | C4 | C34 | H14 | 62.3° | 53.9° |
| C3 | C4 | C34 | H15 | 57.7° | 173.9° |
| C3 | C4 | C34 | H16 | 177.7° | 66.1° |
| C26 | C27 | C28 | H10 | 180.0° | 179.9° |
| C27 | C26 | N2 | C30 | 6.6° | 0.5° |
| C26 | C27 | C28 | C29 | 3.4° | 0.1° |
| C27 | C26 | C16 | H8 | 17.7° | 1.7° |
| C27 | C26 | C16 | H9 | 134.8° | 118.2° |
| C26 | C27 | C28 | H11 | 176.6° | 180.0° |
| N2 | C26 | C27 | C28 | 6.6° | 0.2° |
| C26 | N2 | C30 | C29 | 3.8° | 0.6° |
| N2 | C26 | C16 | H8 | 155.0° | 178.5° |
| N2 | C26 | C16 | H9 | 37.9° | 61.6° |
| N2 | C26 | C27 | H10 | 173.5° | 179.8° |
| C26 | N2 | C30 | H13 | 176.2° | 179.7° |
| C7 | C2 | C3 | H5 | 123.0° | 120.3° |
| C2 | C7 | C12 | C8 | 179.3° | 179.9° |
| C2 | C7 | C12 | C11 | 178.7° | 180.0° |
| C2 | C7 | C8 | C9 | 179.4° | 179.9° |
| C2 | C7 | C12 | H1 | 1.3° | 0.1° |
| C2 | C7 | C8 | H4 | 0.6° | 0.0° |
| C7 | C2 | C3 | H6 | 66.3° | 52.9° |
| C7 | C2 | C3 | H7 | 53.5° | 67.6° |
| C7 | C2 | C1 | H34 | 53.5° | 50.3° |
| C3 | C2 | C7 | C12 | 136.8° | 120.0° |
| C3 | C2 | C7 | C8 | 42.5° | 60.1° |
| C2 | C3 | H6 | H7 | 119.7° | 120.5° |
| C3 | C2 | C1 | H34 | 69.4° | 69.5° |
| C27 | C28 | C29 | H11 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.7° | 0.1° |
| C27 | C28 | C29 | C31 | 177.4° | 180.0° |
| S1 | C22 | C23 | C25 | 118.3° | 120.0° |
| C22 | S1 | C15 | H23 | 47.4° | 60.0° |
| C22 | S1 | C15 | H24 | 71.9° | 60.0° |
| S1 | C22 | C24 | H25 | 180.0° | 60.0° |
| S1 | C22 | C24 | H26 | 60.0° | 180.0° |
| S1 | C22 | C24 | H27 | 60.0° | 60.0° |
| S1 | C22 | C25 | H28 | 61.1° | 60.0° |
| S1 | C22 | C25 | H29 | 58.9° | 180.0° |
| S1 | C22 | C25 | H30 | 178.9° | 60.1° |
| S1 | C22 | C23 | H31 | 56.6° | 60.1° |
| S1 | C22 | C23 | H32 | 176.6° | 180.0° |
| S1 | C22 | C23 | H33 | 63.4° | 59.9° |
| O4 | S1 | C22 | C23 | 58.3° | 65.5° |
| O4 | S1 | C22 | C25 | 61.0° | 54.5° |
| O4 | S1 | C15 | H23 | 161.8° | 174.5° |
| O4 | S1 | C15 | H24 | 42.5° | 54.5° |
| C7 | C12 | C11 | H1 | 180.0° | 179.8° |
| C7 | C12 | C11 | CL1 | 178.5° | 180.0° |
| C7 | C12 | C11 | C10 | 1.1° | 0.0° |
| C12 | C7 | C8 | C9 | 1.3° | 0.0° |
| C12 | C7 | C8 | H4 | 178.7° | 179.9° |
| C12 | C7 | C2 | H5 | 13.9° | 0.3° |
| C12 | C11 | CL1 | C10 | 179.6° | 180.0° |
| C11 | C12 | C7 | C8 | 2.0° | 0.0° |
| C12 | C11 | C10 | C9 | 0.5° | 0.0° |
| C12 | C11 | C10 | H2 | 179.5° | 180.0° |
| CL1 | C11 | C10 | C9 | 179.9° | 180.0° |
| CL1 | C11 | C12 | H1 | 1.5° | 0.2° |
| CL1 | C11 | C10 | H2 | 0.0° | 0.1° |
| C23 | C22 | C24 | H25 | 58.2° | 179.9° |
| C23 | C22 | C24 | H26 | 178.2° | 59.9° |
| C23 | C22 | C24 | H27 | 61.8° | 60.0° |
| C23 | C22 | C25 | H28 | 56.9° | 60.0° |
| C23 | C22 | C25 | H29 | 176.9° | 60.0° |
| C23 | C22 | C25 | H30 | 63.1° | 180.0° |
| C22 | C23 | H31 | H32 | 120.0° | 120.0° |
| C22 | C23 | H31 | H33 | 120.0° | 120.0° |
| C22 | C23 | H32 | H33 | 120.0° | 120.1° |
| N2 | C30 | C29 | C28 | 0.8° | 0.3° |
| N2 | C30 | C29 | H13 | 180.0° | 179.7° |
| N2 | C30 | C29 | C31 | 177.2° | 179.7° |
| C25 | C22 | C24 | H25 | 62.6° | 60.0° |
| C25 | C22 | C24 | H26 | 57.4° | 60.0° |
| C25 | C22 | C24 | H27 | 177.4° | 180.0° |
| C22 | C25 | H28 | H29 | 120.0° | 120.0° |
| C22 | C25 | H28 | H30 | 120.0° | 120.0° |
| C22 | C25 | H29 | H30 | 120.0° | 120.0° |
| C25 | C22 | C23 | H31 | 61.7° | 180.0° |
| C25 | C22 | C23 | H32 | 58.3° | 60.0° |
| C25 | C22 | C23 | H33 | 178.3° | 60.0° |
| C28 | C29 | C30 | C31 | 178.0° | 179.9° |
| C28 | C29 | C31 | O2 | 1.0° | 0.0° |
| C28 | C29 | C31 | O3 | 168.9° | 179.9° |
| C29 | C28 | C27 | H10 | 176.6° | 179.9° |
| C28 | C29 | C30 | H13 | 179.2° | 180.0° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.0° |
| C8 | C7 | C12 | H1 | 178.0° | 179.8° |
| C7 | C8 | C9 | H3 | 179.8° | 180.0° |
| C8 | C7 | C2 | H5 | 165.4° | 179.7° |
| C11 | C10 | C9 | C8 | 1.2° | 0.0° |
| C11 | C10 | C9 | H2 | 180.0° | 180.0° |
| C10 | C11 | C12 | H1 | 178.9° | 179.8° |
| C11 | C10 | C9 | H3 | 178.9° | 180.0° |
| C30 | C29 | C31 | O2 | 179.0° | 180.0° |
| C30 | C29 | C31 | O3 | 9.1° | 0.0° |
| C30 | C29 | C28 | H11 | 179.4° | 179.9° |
| C29 | C31 | O2 | O3 | 169.3° | 180.0° |
| C31 | C29 | C28 | H11 | 2.6° | 0.1° |
| C29 | C31 | O3 | H12 | 169.1° | 179.9° |
| C31 | C29 | C30 | H13 | 2.8° | 0.0° |
| C8 | C9 | C10 | H3 | 180.0° | 180.0° |
| C8 | C9 | C10 | H2 | 178.9° | 180.0° |
| O2 | C31 | O3 | H12 | 0.0° | 0.1° |
| C10 | C9 | C8 | H4 | 179.8° | 180.0° |
| H2 | C10 | C9 | H3 | 1.1° | 0.0° |
| H3 | C9 | C8 | H4 | 0.2° | 0.0° |
| H5 | C2 | C3 | H6 | 170.7° | 67.3° |
| H5 | C2 | C3 | H7 | 69.4° | 172.2° |
| H5 | C2 | C1 | H34 | 173.5° | 170.7° |
| H10 | C27 | C28 | H11 | 3.3° | 0.1° |
| H14 | C34 | H15 | H16 | 120.0° | 119.9° |
| H17 | C13 | C14 | H18 | 171.4° | 90.6° |
| H17 | C13 | C15 | H23 | 64.3° | 65.1° |
| H17 | C13 | C15 | H24 | 176.4° | 175.0° |
| H18 | C14 | C32 | H19 | 1.7° | 145.1° |
| H18 | C14 | C32 | H20 | 142.4° | 0.0° |
| H18 | C14 | C33 | H21 | 142.0° | 0.0° |
| H18 | C14 | C33 | H22 | 0.4° | 145.1° |
| H19 | C32 | C33 | H21 | 141.2° | 144.9° |
| H19 | C32 | C33 | H22 | 0.4° | 0.1° |
| H20 | C32 | C33 | H21 | 0.4° | 0.0° |
| H20 | C32 | C33 | H22 | 141.1° | 145.0° |
| H25 | C24 | H26 | H27 | 120.0° | 120.0° |
| H28 | C25 | H29 | H30 | 120.0° | 120.0° |
| H31 | C23 | H32 | H33 | 119.9° | 120.0° |
| H35 | C17 | C18 | H36 | 3.7° | 0.1° |
| H37 | C20 | C21 | H38 | 2.3° | 0.4° |
