MK5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C28 | sing | 1.80Å | 1.80Å | |
| C28 | C26 | sing | 1.51Å | 1.53Å | |
| C28 | CL1 | sing | 1.80Å | 1.78Å | |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| N25 | C26 | sing | 1.35Å | 1.33Å | |
| N25 | C24 | sing | 1.46Å | 1.47Å | |
| C26 | O27 | doub | 1.21Å | 1.23Å | |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | O23 | sing | 1.45Å | 1.43Å | |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| O23 | C21 | sing | 1.35Å | 1.36Å | |
| O22 | C21 | doub | 1.21Å | 1.23Å | |
| C38 | C32 | sing | 1.51Å | 1.53Å | |
| C21 | N20 | sing | 1.35Å | 1.33Å | |
| O9 | S8 | doub | 1.42Å | 1.50Å | |
| N20 | C19 | sing | 1.46Å | 1.47Å | |
| C32 | C19 | sing | 1.53Å | 1.54Å | |
| O10 | S8 | doub | 1.42Å | 1.48Å | |
| C18 | C15 | sing | 1.53Å | 1.52Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| S8 | N11 | sing | 1.66Å | 1.67Å | |
| S8 | C5 | sing | 1.76Å | 1.76Å | |
| C15 | C13 | sing | 1.53Å | 1.53Å | |
| N11 | C16 | sing | 1.46Å | 1.48Å | |
| N11 | C12 | sing | 1.47Å | 1.48Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | O18 | sing | 1.43Å | 1.42Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| O18 | H22 | sing | 0.97Å | 0.95Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.08Å | 1.08Å | |
| C34 | H27 | sing | 1.08Å | 1.08Å | |
| C35 | H28 | sing | 1.08Å | 1.08Å | |
| C36 | H29 | sing | 1.08Å | 1.08Å | |
| C37 | H30 | sing | 1.08Å | 1.08Å | |
| N20 | H31 | sing | 0.97Å | 1.00Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| N25 | H36 | sing | 0.97Å | 1.00Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C28 | C26 | 113.7° | 109.5° |
| CL2 | C28 | CL1 | 108.7° | 109.5° |
| CL2 | C28 | H37 | 108.0° | 109.4° |
| C26 | C28 | CL1 | 106.7° | 109.5° |
| C28 | C26 | N25 | 116.6° | 120.0° |
| C28 | C26 | O27 | 120.5° | 120.0° |
| C26 | C28 | H37 | 111.3° | 109.5° |
| CL1 | C28 | H37 | 108.3° | 109.5° |
| C36 | C35 | C34 | 120.0° | 120.0° |
| C35 | C36 | C37 | 119.9° | 120.0° |
| C36 | C35 | H28 | 120.0° | 120.0° |
| C35 | C36 | H29 | 120.0° | 120.0° |
| C35 | C34 | C33 | 119.8° | 120.0° |
| C35 | C34 | H27 | 120.1° | 120.0° |
| C34 | C35 | H28 | 120.0° | 120.0° |
| C26 | N25 | C24 | 120.9° | 120.0° |
| N25 | C26 | O27 | 122.9° | 120.0° |
| C26 | N25 | H36 | 119.5° | 120.0° |
| N25 | C24 | C23 | 109.7° | 109.5° |
| N25 | C24 | H34 | 109.4° | 109.5° |
| N25 | C24 | H35 | 109.4° | 109.5° |
| C24 | N25 | H36 | 119.5° | 120.0° |
| C36 | C37 | C38 | 120.3° | 120.0° |
| C37 | C36 | H29 | 120.1° | 120.0° |
| C36 | C37 | H30 | 119.9° | 120.0° |
| C24 | C23 | O23 | 108.9° | 109.5° |
| C24 | C23 | H32 | 109.6° | 109.5° |
| C24 | C23 | H33 | 109.6° | 109.5° |
| C23 | C24 | H34 | 109.4° | 109.5° |
| C23 | C24 | H35 | 109.4° | 109.4° |
| C34 | C33 | C38 | 120.4° | 120.0° |
| C34 | C33 | H26 | 119.8° | 120.0° |
| C33 | C34 | H27 | 120.1° | 120.0° |
| C23 | O23 | C21 | 108.9° | 117.0° |
| O23 | C23 | H32 | 109.6° | 109.4° |
| O23 | C23 | H33 | 109.6° | 109.5° |
| C37 | C38 | C33 | 119.7° | 120.0° |
| C37 | C38 | C32 | 120.7° | 120.0° |
| C38 | C37 | H30 | 119.9° | 120.0° |
| C33 | C38 | C32 | 119.7° | 120.0° |
| C38 | C33 | H26 | 119.8° | 120.0° |
| O23 | C21 | O22 | 118.9° | 120.0° |
| O23 | C21 | N20 | 116.8° | 120.0° |
| O22 | C21 | N20 | 124.3° | 120.0° |
| C38 | C32 | C19 | 110.1° | 109.5° |
| C38 | C32 | H24 | 109.3° | 109.5° |
| C38 | C32 | H25 | 109.3° | 109.4° |
| C21 | N20 | C19 | 124.6° | 120.0° |
| C21 | N20 | H31 | 117.7° | 120.0° |
| O9 | S8 | O10 | 111.1° | 123.2° |
| O9 | S8 | N11 | 108.3° | 106.4° |
| O9 | S8 | C5 | 108.6° | 106.4° |
| N20 | C19 | C32 | 109.1° | 109.5° |
| N20 | C19 | C17 | 109.4° | 109.4° |
| N20 | C19 | H23 | 109.4° | 109.5° |
| C19 | N20 | H31 | 117.7° | 120.0° |
| C32 | C19 | C17 | 112.1° | 109.5° |
| C32 | C19 | H23 | 108.4° | 109.5° |
| C19 | C32 | H24 | 109.3° | 109.5° |
| C19 | C32 | H25 | 109.3° | 109.5° |
| O10 | S8 | N11 | 108.9° | 106.4° |
| O10 | S8 | C5 | 110.0° | 106.4° |
| C18 | C15 | C13 | 110.2° | 109.4° |
| C18 | C15 | H14 | 109.3° | 109.5° |
| C18 | C15 | H15 | 109.3° | 109.5° |
| C15 | C18 | H16 | 109.5° | 109.4° |
| C15 | C18 | H17 | 109.5° | 109.5° |
| C15 | C18 | H18 | 109.4° | 109.5° |
| C19 | C17 | C16 | 111.2° | 109.5° |
| C19 | C17 | O18 | 109.9° | 109.5° |
| C19 | C17 | H21 | 107.8° | 109.5° |
| C17 | C19 | H23 | 108.6° | 109.4° |
| N11 | S8 | C5 | 109.9° | 107.2° |
| S8 | N11 | C16 | 110.7° | 120.0° |
| S8 | N11 | C12 | 113.4° | 120.0° |
| S8 | C5 | C4 | 120.1° | 119.9° |
| S8 | C5 | C6 | 120.2° | 120.0° |
| C15 | C13 | C12 | 111.2° | 109.5° |
| C15 | C13 | C14 | 110.8° | 109.4° |
| C15 | C13 | H10 | 107.4° | 109.5° |
| C13 | C15 | H14 | 109.3° | 109.4° |
| C13 | C15 | H15 | 109.3° | 109.4° |
| C16 | N11 | C12 | 109.8° | 120.0° |
| N11 | C16 | C17 | 107.4° | 109.5° |
| N11 | C16 | H19 | 110.0° | 109.5° |
| N11 | C16 | H20 | 110.0° | 109.4° |
| N11 | C12 | C13 | 112.0° | 109.5° |
| N11 | C12 | H8 | 108.8° | 109.5° |
| N11 | C12 | H9 | 108.9° | 109.4° |
| C16 | C17 | O18 | 111.0° | 109.5° |
| C17 | C16 | H19 | 110.0° | 109.5° |
| C17 | C16 | H20 | 110.0° | 109.5° |
| C16 | C17 | H21 | 107.7° | 109.5° |
| O18 | C17 | H21 | 109.1° | 109.5° |
| C17 | O18 | H22 | 109.5° | 114.0° |
| C4 | C5 | C6 | 119.7° | 120.1° |
| C5 | C4 | C3 | 120.4° | 120.1° |
| C5 | C4 | H7 | 119.8° | 120.0° |
| C5 | C6 | C7 | 119.9° | 120.1° |
| C5 | C6 | H5 | 120.0° | 119.9° |
| C4 | C3 | C2 | 119.9° | 119.9° |
| C4 | C3 | H6 | 120.1° | 120.0° |
| C3 | C4 | H7 | 119.8° | 120.0° |
| C12 | C13 | C14 | 112.5° | 109.5° |
| C13 | C12 | H8 | 108.8° | 109.5° |
| C13 | C12 | H9 | 108.8° | 109.4° |
| C12 | C13 | H10 | 107.4° | 109.5° |
| C14 | C13 | H10 | 107.3° | 109.5° |
| C13 | C14 | H11 | 109.5° | 109.4° |
| C13 | C14 | H12 | 109.4° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.5° |
| C6 | C7 | C2 | 120.3° | 119.9° |
| C6 | C7 | H4 | 119.8° | 120.1° |
| C7 | C6 | H5 | 120.0° | 120.0° |
| C3 | C2 | C7 | 119.7° | 120.0° |
| C3 | C2 | O1 | 121.0° | 120.0° |
| C2 | C3 | H6 | 120.0° | 120.1° |
| C7 | C2 | O1 | 119.3° | 120.0° |
| C2 | C7 | H4 | 119.8° | 120.0° |
| C2 | O1 | C1 | 111.9° | 117.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H13 | 109.4° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.4° | 109.5° |
| H16 | C18 | H18 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H24 | C32 | H25 | 109.5° | 109.4° |
| H32 | C23 | H33 | 109.5° | 109.5° |
| H34 | C24 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C28 | C26 | CL1 | 119.8° | 120.0° |
| CL2 | C28 | C26 | H37 | 122.3° | 120.0° |
| CL2 | C28 | CL1 | H37 | 117.1° | 120.0° |
| CL2 | C28 | C26 | N25 | 9.8° | 55.0° |
| CL2 | C28 | C26 | O27 | 171.6° | 125.0° |
| C26 | C28 | CL1 | H37 | 119.9° | 120.0° |
| C28 | C26 | N25 | O27 | 178.5° | 180.0° |
| C28 | C26 | N25 | C24 | 179.5° | 180.0° |
| C28 | C26 | N25 | H36 | 0.5° | 0.0° |
| CL1 | C28 | C26 | N25 | 110.0° | 175.0° |
| CL1 | C28 | C26 | O27 | 68.6° | 5.0° |
| C36 | C35 | C34 | H28 | 180.0° | 179.7° |
| C35 | C36 | C37 | H29 | 180.0° | 179.8° |
| C36 | C35 | C34 | C33 | 0.3° | 0.0° |
| C35 | C36 | C37 | C38 | 0.7° | 0.5° |
| C36 | C35 | C34 | H27 | 179.7° | 180.0° |
| C35 | C36 | C37 | H30 | 179.3° | 180.0° |
| C34 | C35 | C36 | C37 | 0.6° | 0.2° |
| C35 | C34 | C33 | H27 | 180.0° | 180.0° |
| C35 | C34 | C33 | C38 | 0.2° | 0.0° |
| C35 | C34 | C33 | H26 | 179.8° | 180.0° |
| C34 | C35 | C36 | H29 | 179.4° | 180.0° |
| C26 | N25 | C24 | H36 | 180.0° | 179.9° |
| C26 | N25 | C24 | C23 | 114.3° | 180.0° |
| C26 | N25 | C24 | H34 | 5.8° | 59.9° |
| C26 | N25 | C24 | H35 | 125.7° | 60.1° |
| N25 | C26 | C28 | H37 | 132.1° | 65.0° |
| C24 | N25 | C26 | O27 | 1.9° | 0.1° |
| N25 | C24 | C23 | H34 | 120.0° | 120.0° |
| N25 | C24 | C23 | H35 | 120.0° | 120.0° |
| N25 | C24 | C23 | O23 | 47.6° | 64.9° |
| N25 | C24 | C23 | H32 | 167.6° | 55.0° |
| N25 | C24 | C23 | H33 | 72.2° | 175.0° |
| N25 | C24 | H34 | H35 | 119.9° | 120.0° |
| O27 | C26 | N25 | H36 | 178.1° | 180.0° |
| O27 | C26 | C28 | H37 | 49.3° | 115.0° |
| C36 | C37 | C38 | H30 | 180.0° | 179.5° |
| C36 | C37 | C38 | C33 | 0.5° | 0.5° |
| C36 | C37 | C38 | C32 | 179.2° | 179.7° |
| C37 | C36 | C35 | H28 | 179.4° | 179.9° |
| C24 | C23 | O23 | H32 | 119.9° | 120.0° |
| C24 | C23 | O23 | H33 | 119.9° | 120.0° |
| C24 | C23 | O23 | C21 | 161.5° | 180.0° |
| C24 | C23 | H32 | H33 | 120.3° | 120.0° |
| C23 | C24 | H34 | H35 | 119.9° | 120.0° |
| C23 | C24 | N25 | H36 | 65.7° | 0.0° |
| C34 | C33 | C38 | C37 | 0.2° | 0.2° |
| C34 | C33 | C38 | H26 | 180.0° | 180.0° |
| C34 | C33 | C38 | C32 | 179.4° | 179.9° |
| C33 | C34 | C35 | H28 | 179.6° | 179.7° |
| C23 | O23 | C21 | O22 | 7.8° | 0.0° |
| C23 | O23 | C21 | N20 | 172.7° | 179.9° |
| O23 | C23 | H32 | H33 | 120.2° | 120.0° |
| O23 | C23 | C24 | H34 | 72.4° | 175.0° |
| O23 | C23 | C24 | H35 | 167.7° | 55.0° |
| C37 | C38 | C33 | C32 | 179.7° | 179.8° |
| C37 | C38 | C32 | C19 | 77.5° | 90.2° |
| C37 | C38 | C32 | H24 | 42.6° | 149.7° |
| C37 | C38 | C32 | H25 | 162.4° | 29.8° |
| C37 | C38 | C33 | H26 | 179.7° | 179.7° |
| C38 | C37 | C36 | H29 | 179.4° | 179.7° |
| C33 | C38 | C32 | C19 | 102.1° | 90.0° |
| C33 | C38 | C32 | H24 | 137.8° | 30.1° |
| C33 | C38 | C32 | H25 | 18.0° | 150.0° |
| C38 | C33 | C34 | H27 | 179.8° | 180.0° |
| C33 | C38 | C37 | H30 | 179.5° | 180.0° |
| O23 | C21 | O22 | N20 | 179.5° | 180.0° |
| O23 | C21 | N20 | C19 | 179.3° | 180.0° |
| O23 | C21 | N20 | H31 | 0.7° | 0.1° |
| C21 | O23 | C23 | H32 | 78.6° | 60.0° |
| C21 | O23 | C23 | H33 | 41.6° | 60.0° |
| O22 | C21 | N20 | C19 | 0.2° | 0.1° |
| O22 | C21 | N20 | H31 | 179.8° | 180.0° |
| C38 | C32 | C19 | N20 | 59.2° | 65.0° |
| C38 | C32 | C19 | H24 | 120.1° | 120.1° |
| C38 | C32 | C19 | H25 | 120.1° | 120.0° |
| C38 | C32 | C19 | C17 | 179.6° | 175.0° |
| C38 | C32 | C19 | H23 | 59.8° | 55.0° |
| C38 | C32 | H24 | H25 | 119.7° | 119.9° |
| C32 | C38 | C33 | H26 | 0.6° | 0.1° |
| C32 | C38 | C37 | H30 | 0.9° | 0.2° |
| C21 | N20 | C19 | H31 | 180.0° | 179.9° |
| C21 | N20 | C19 | C32 | 135.7° | 85.0° |
| C21 | N20 | C19 | C17 | 101.4° | 155.0° |
| C21 | N20 | C19 | H23 | 17.3° | 35.1° |
| O9 | S8 | O10 | N11 | 119.2° | 122.9° |
| O9 | S8 | O10 | C5 | 120.3° | 123.0° |
| O9 | S8 | N11 | C5 | 118.6° | 113.5° |
| O9 | S8 | N11 | C16 | 155.6° | 23.5° |
| O9 | S8 | N11 | C12 | 80.6° | 156.5° |
| O9 | S8 | C5 | C4 | 24.8° | 156.5° |
| O9 | S8 | C5 | C6 | 155.7° | 23.2° |
| N20 | C19 | C32 | C17 | 121.3° | 120.0° |
| N20 | C19 | C32 | H23 | 119.0° | 120.0° |
| N20 | C19 | C17 | H23 | 119.3° | 120.0° |
| N20 | C19 | C17 | C16 | 168.5° | 175.0° |
| N20 | C19 | C17 | O18 | 68.2° | 65.0° |
| N20 | C19 | C17 | H21 | 50.7° | 55.0° |
| N20 | C19 | C32 | H24 | 179.3° | 55.0° |
| N20 | C19 | C32 | H25 | 60.9° | 175.0° |
| C32 | C19 | C17 | H23 | 119.7° | 120.0° |
| C32 | C19 | C17 | C16 | 70.4° | 65.0° |
| C32 | C19 | C17 | O18 | 52.9° | 55.0° |
| C32 | C19 | C17 | H21 | 171.8° | 175.0° |
| C19 | C32 | H24 | H25 | 119.7° | 120.0° |
| C32 | C19 | N20 | H31 | 44.3° | 95.0° |
| O10 | S8 | N11 | C5 | 120.5° | 113.6° |
| O10 | S8 | N11 | C16 | 34.7° | 156.5° |
| O10 | S8 | N11 | C12 | 158.5° | 23.5° |
| O10 | S8 | C5 | C4 | 146.6° | 23.5° |
| O10 | S8 | C5 | C6 | 33.9° | 156.2° |
| C18 | C15 | C13 | H14 | 120.1° | 120.0° |
| C18 | C15 | C13 | H15 | 120.1° | 120.0° |
| C18 | C15 | C13 | C12 | 147.3° | 175.0° |
| C18 | C15 | C13 | C14 | 86.7° | 65.0° |
| C18 | C15 | C13 | H10 | 30.1° | 55.0° |
| C18 | C15 | H14 | H15 | 119.6° | 120.1° |
| C15 | C18 | H16 | H17 | 120.0° | 120.0° |
| C15 | C18 | H16 | H18 | 120.0° | 120.0° |
| C15 | C18 | H17 | H18 | 120.0° | 120.1° |
| C19 | C17 | C16 | N11 | 74.1° | 175.0° |
| C19 | C17 | C16 | O18 | 122.7° | 120.0° |
| C19 | C17 | C16 | H21 | 117.9° | 120.0° |
| C19 | C17 | O18 | H21 | 118.1° | 120.0° |
| C19 | C17 | C16 | H19 | 166.2° | 65.0° |
| C19 | C17 | C16 | H20 | 45.6° | 55.0° |
| C19 | C17 | O18 | H22 | 180.0° | 60.0° |
| C17 | C19 | C32 | H24 | 59.5° | 64.9° |
| C17 | C19 | C32 | H25 | 60.3° | 55.0° |
| C17 | C19 | N20 | H31 | 78.6° | 25.1° |
| S8 | N11 | C16 | C12 | 125.9° | 180.0° |
| S8 | N11 | C16 | C17 | 123.4° | 94.1° |
| N11 | S8 | C5 | C4 | 93.6° | 90.0° |
| N11 | S8 | C5 | C6 | 85.9° | 90.2° |
| S8 | N11 | C12 | C13 | 102.5° | 93.1° |
| S8 | N11 | C12 | H8 | 17.9° | 146.8° |
| S8 | N11 | C12 | H9 | 137.2° | 26.8° |
| S8 | N11 | C16 | H19 | 116.9° | 145.9° |
| S8 | N11 | C16 | H20 | 3.7° | 25.9° |
| C5 | S8 | N11 | C16 | 85.8° | 90.0° |
| C5 | S8 | N11 | C12 | 38.0° | 90.0° |
| S8 | C5 | C4 | C6 | 179.5° | 179.7° |
| S8 | C5 | C4 | C3 | 179.4° | 180.0° |
| S8 | C5 | C6 | C7 | 179.4° | 180.0° |
| S8 | C5 | C6 | H5 | 0.6° | 0.0° |
| S8 | C5 | C4 | H7 | 0.6° | 0.0° |
| C15 | C13 | C12 | N11 | 42.2° | 176.9° |
| C15 | C13 | C12 | C14 | 125.0° | 120.0° |
| C15 | C13 | C12 | H10 | 117.2° | 120.0° |
| C15 | C13 | C14 | H10 | 116.9° | 120.0° |
| C15 | C13 | C12 | H8 | 162.6° | 63.0° |
| C15 | C13 | C12 | H9 | 78.2° | 57.0° |
| C15 | C13 | C14 | H11 | 180.0° | 67.0° |
| C15 | C13 | C14 | H12 | 60.0° | 53.0° |
| C15 | C13 | C14 | H13 | 60.0° | 173.0° |
| C13 | C15 | H14 | H15 | 119.7° | 120.0° |
| C13 | C15 | C18 | H16 | 180.0° | 180.0° |
| C13 | C15 | C18 | H17 | 60.0° | 60.0° |
| C13 | C15 | C18 | H18 | 60.0° | 60.0° |
| N11 | C16 | C17 | H19 | 119.7° | 120.0° |
| N11 | C16 | C17 | H20 | 119.7° | 120.0° |
| N11 | C16 | C17 | O18 | 163.2° | 65.0° |
| C16 | N11 | C12 | C13 | 133.2° | 86.9° |
| C16 | N11 | C12 | H8 | 106.4° | 33.2° |
| C16 | N11 | C12 | H9 | 12.8° | 153.2° |
| N11 | C16 | H19 | H20 | 120.9° | 120.0° |
| N11 | C16 | C17 | H21 | 43.8° | 55.0° |
| C12 | N11 | C16 | C17 | 110.7° | 86.0° |
| N11 | C12 | C13 | H8 | 120.4° | 120.0° |
| N11 | C12 | C13 | H9 | 120.4° | 119.9° |
| N11 | C12 | C13 | C14 | 167.2° | 63.1° |
| N11 | C12 | H8 | H9 | 118.9° | 120.0° |
| N11 | C12 | C13 | H10 | 75.0° | 56.9° |
| C12 | N11 | C16 | H19 | 9.0° | 34.1° |
| C12 | N11 | C16 | H20 | 129.6° | 154.1° |
| C16 | C17 | O18 | H21 | 118.5° | 120.0° |
| C17 | C16 | H19 | H20 | 121.0° | 120.0° |
| C16 | C17 | O18 | H22 | 56.6° | 60.0° |
| C16 | C17 | C19 | H23 | 49.3° | 55.0° |
| O18 | C17 | C16 | H19 | 43.6° | 55.0° |
| O18 | C17 | C16 | H20 | 77.1° | 175.0° |
| O18 | C17 | C19 | H23 | 172.6° | 175.0° |
| C5 | C4 | C3 | H7 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.3° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C4 | C5 | C6 | H5 | 179.9° | 179.7° |
| C5 | C4 | C3 | H6 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.1° | 0.0° |
| C5 | C6 | C7 | H4 | 179.9° | 180.0° |
| C6 | C5 | C4 | H7 | 179.9° | 179.8° |
| C4 | C3 | C2 | H6 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 0.4° | 0.3° |
| C4 | C3 | C2 | O1 | 179.7° | 180.0° |
| C12 | C13 | C14 | H10 | 117.8° | 120.1° |
| C13 | C12 | H8 | H9 | 118.8° | 120.0° |
| C12 | C13 | C14 | H11 | 54.8° | 52.9° |
| C12 | C13 | C14 | H12 | 65.3° | 173.0° |
| C12 | C13 | C14 | H13 | 174.7° | 67.0° |
| C12 | C13 | C15 | H14 | 27.2° | 65.0° |
| C12 | C13 | C15 | H15 | 92.6° | 55.0° |
| C14 | C13 | C12 | H8 | 72.4° | 56.9° |
| C14 | C13 | C12 | H9 | 46.9° | 177.0° |
| C13 | C14 | H11 | H12 | 120.0° | 120.0° |
| C13 | C14 | H11 | H13 | 120.0° | 120.0° |
| C13 | C14 | H12 | H13 | 120.0° | 120.0° |
| C14 | C13 | C15 | H14 | 153.2° | 55.0° |
| C14 | C13 | C15 | H15 | 33.4° | 175.0° |
| C6 | C7 | C2 | C3 | 0.4° | 0.3° |
| C6 | C7 | C2 | H4 | 180.0° | 179.9° |
| C6 | C7 | C2 | O1 | 179.7° | 180.0° |
| C3 | C2 | C7 | O1 | 179.4° | 179.7° |
| C3 | C2 | O1 | C1 | 13.0° | 0.3° |
| C3 | C2 | C7 | H4 | 179.6° | 179.8° |
| C2 | C3 | C4 | H7 | 179.9° | 179.9° |
| C7 | C2 | O1 | C1 | 167.7° | 180.0° |
| C2 | C7 | C6 | H5 | 179.9° | 180.0° |
| C7 | C2 | C3 | H6 | 179.6° | 179.7° |
| C2 | O1 | C1 | H1 | 180.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| O1 | C2 | C7 | H4 | 0.3° | 0.1° |
| O1 | C2 | C3 | H6 | 0.3° | 0.1° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C7 | C6 | H5 | 0.1° | 0.1° |
| H6 | C3 | C4 | H7 | 0.1° | 0.0° |
| H8 | C12 | C13 | H10 | 45.4° | 176.9° |
| H9 | C12 | C13 | H10 | 164.6° | 63.0° |
| H10 | C13 | C14 | H11 | 63.1° | 173.0° |
| H10 | C13 | C14 | H12 | 176.9° | 67.0° |
| H10 | C13 | C14 | H13 | 56.9° | 53.0° |
| H10 | C13 | C15 | H14 | 90.0° | 175.0° |
| H10 | C13 | C15 | H15 | 150.2° | 65.0° |
| H11 | C14 | H12 | H13 | 120.0° | 120.0° |
| H14 | C15 | C18 | H16 | 59.9° | 60.1° |
| H14 | C15 | C18 | H17 | 60.1° | 180.0° |
| H14 | C15 | C18 | H18 | 179.9° | 59.9° |
| H15 | C15 | C18 | H16 | 59.9° | 60.0° |
| H15 | C15 | C18 | H17 | 179.9° | 60.0° |
| H15 | C15 | C18 | H18 | 60.1° | 180.0° |
| H16 | C18 | H17 | H18 | 120.0° | 120.0° |
| H19 | C16 | C17 | H21 | 75.8° | 175.0° |
| H20 | C16 | C17 | H21 | 163.5° | 65.0° |
| H21 | C17 | O18 | H22 | 62.0° | 180.0° |
| H21 | C17 | C19 | H23 | 68.6° | 64.9° |
| H23 | C19 | C32 | H24 | 60.3° | 175.1° |
| H23 | C19 | C32 | H25 | 179.9° | 65.0° |
| H23 | C19 | N20 | H31 | 162.6° | 145.0° |
| H26 | C33 | C34 | H27 | 0.2° | 0.0° |
| H27 | C34 | C35 | H28 | 0.3° | 0.3° |
| H28 | C35 | C36 | H29 | 0.6° | 0.3° |
| H29 | C36 | C37 | H30 | 0.7° | 0.2° |
| H32 | C23 | C24 | H34 | 47.5° | 65.0° |
| H32 | C23 | C24 | H35 | 72.4° | 175.0° |
| H33 | C23 | C24 | H34 | 167.7° | 55.0° |
| H33 | C23 | C24 | H35 | 47.8° | 65.0° |
| H34 | C24 | N25 | H36 | 174.2° | 120.0° |
| H35 | C24 | N25 | H36 | 54.3° | 120.0° |
