WW8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | CL3 | sing | 1.74Å | 1.73Å | |
| C2 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.37Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.41Å | 1.39Å | Aromatic |
| C6 | C25 | sing | 1.47Å | 1.39Å | Aromatic |
| C7 | N8 | sing | 1.38Å | 1.31Å | Aromatic |
| N8 | C9 | sing | 1.38Å | 1.32Å | Aromatic |
| C9 | C10 | sing | 1.46Å | 1.50Å | |
| C9 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | O11 | doub | 1.22Å | 1.24Å | |
| C10 | N12 | sing | 1.35Å | 1.32Å | |
| N12 | C13 | sing | 1.47Å | 1.47Å | |
| N12 | C24 | sing | 1.47Å | 1.48Å | |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| C14 | N15 | sing | 1.47Å | 1.46Å | |
| C14 | C23 | sing | 1.55Å | 1.54Å | |
| N15 | C16 | sing | 1.47Å | 1.45Å | |
| N15 | C22 | sing | 1.47Å | 1.45Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | N19 | sing | 1.47Å | 1.44Å | |
| N19 | C20 | sing | 1.47Å | 1.43Å | |
| N19 | C21 | sing | 1.47Å | 1.46Å | |
| C23 | C24 | sing | 1.54Å | 1.54Å | |
| C25 | C26 | sing | 1.47Å | 1.41Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | N36 | sing | 1.38Å | 1.34Å | Aromatic |
| C27 | C28 | sing | 1.48Å | 1.39Å | Aromatic |
| C27 | N34 | sing | 1.34Å | 1.34Å | Aromatic |
| C28 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C28 | C33 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| N34 | C35 | doub | 1.30Å | 1.32Å | Aromatic |
| C35 | N36 | sing | 1.35Å | 1.32Å | Aromatic |
| N36 | C37 | sing | 1.46Å | 1.46Å | |
| C37 | C38 | sing | 1.51Å | 1.55Å | |
| C38 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C44 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | CL42 | sing | 1.74Å | 1.73Å | |
| C41 | C43 | sing | 1.38Å | 1.38Å | Aromatic |
| C43 | C44 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C7 | 118.8° | 119.8° |
| C1 | C2 | CL3 | 119.9° | 119.7° |
| C1 | C2 | C4 | 120.2° | 120.6° |
| C2 | C1 | H1 | 120.6° | 120.1° |
| C1 | C7 | C6 | 121.5° | 119.2° |
| C1 | C7 | N8 | 130.1° | 132.6° |
| C7 | C1 | H1 | 120.6° | 120.1° |
| CL3 | C2 | C4 | 119.9° | 119.7° |
| C2 | C4 | C5 | 120.9° | 120.5° |
| C2 | C4 | H4 | 119.6° | 119.8° |
| C4 | C5 | C6 | 118.6° | 119.9° |
| C5 | C4 | H4 | 119.5° | 119.7° |
| C4 | C5 | H5 | 120.7° | 120.1° |
| C5 | C6 | C7 | 120.0° | 120.0° |
| C5 | C6 | C25 | 132.5° | 133.5° |
| C6 | C5 | H5 | 120.7° | 120.0° |
| C7 | C6 | C25 | 107.4° | 106.5° |
| C6 | C7 | N8 | 108.3° | 108.1° |
| C6 | C25 | C9 | 104.5° | 106.4° |
| C6 | C25 | C26 | 123.1° | 126.8° |
| C7 | N8 | C9 | 109.6° | 110.1° |
| C7 | N8 | HN8 | 125.2° | 125.0° |
| N8 | C9 | C10 | 118.4° | 125.6° |
| N8 | C9 | C25 | 110.0° | 108.9° |
| C9 | N8 | HN8 | 125.2° | 124.9° |
| C10 | C9 | C25 | 131.6° | 125.6° |
| C9 | C10 | O11 | 116.7° | 120.0° |
| C9 | C10 | N12 | 124.2° | 120.0° |
| C9 | C25 | C26 | 131.6° | 126.8° |
| O11 | C10 | N12 | 119.2° | 120.0° |
| C10 | N12 | C13 | 125.5° | 125.6° |
| C10 | N12 | C24 | 122.2° | 125.6° |
| C13 | N12 | C24 | 112.1° | 108.7° |
| N12 | C13 | C14 | 100.7° | 104.8° |
| N12 | C13 | H13 | 112.5° | 110.4° |
| N12 | C13 | H13A | 112.5° | 110.4° |
| N12 | C24 | C23 | 104.2° | 107.3° |
| N12 | C24 | H24 | 111.3° | 109.9° |
| N12 | C24 | H24A | 111.3° | 109.9° |
| C13 | C14 | N15 | 111.9° | 111.0° |
| C13 | C14 | C23 | 104.8° | 101.6° |
| C14 | C13 | H13 | 112.5° | 110.4° |
| C14 | C13 | H13A | 112.5° | 110.3° |
| C13 | C14 | H14 | 113.5° | 111.0° |
| N15 | C14 | C23 | 115.8° | 111.0° |
| C14 | N15 | C16 | 119.1° | 111.0° |
| C14 | N15 | C22 | 116.6° | 111.0° |
| N15 | C14 | H14 | 101.8° | 110.9° |
| C14 | C23 | C24 | 101.1° | 103.0° |
| C23 | C14 | H14 | 109.3° | 111.0° |
| C14 | C23 | H23 | 112.4° | 110.7° |
| C14 | C23 | H23A | 112.4° | 110.7° |
| C16 | N15 | C22 | 119.7° | 110.9° |
| N15 | C16 | C17 | 115.3° | 109.5° |
| N15 | C16 | H16 | 107.6° | 109.5° |
| N15 | C16 | H16A | 107.6° | 109.5° |
| N15 | C22 | H22 | 109.5° | 109.5° |
| N15 | C22 | H22A | 109.4° | 109.5° |
| N15 | C22 | H22B | 109.5° | 109.5° |
| C16 | C17 | C18 | 103.0° | 109.5° |
| C17 | C16 | H16 | 107.6° | 109.4° |
| C17 | C16 | H16A | 107.6° | 109.4° |
| C16 | C17 | H17 | 111.7° | 109.5° |
| C16 | C17 | H17A | 111.7° | 109.4° |
| C17 | C18 | N19 | 114.1° | 109.5° |
| C18 | C17 | H17 | 111.7° | 109.5° |
| C18 | C17 | H17A | 111.7° | 109.4° |
| C17 | C18 | H18 | 107.9° | 109.5° |
| C17 | C18 | H18A | 108.0° | 109.4° |
| C18 | N19 | C20 | 124.8° | 111.0° |
| C18 | N19 | C21 | 103.8° | 111.0° |
| N19 | C18 | H18 | 108.0° | 109.5° |
| N19 | C18 | H18A | 107.9° | 109.5° |
| C20 | N19 | C21 | 99.0° | 111.0° |
| N19 | C20 | H20 | 109.5° | 109.5° |
| N19 | C20 | H20A | 109.4° | 109.5° |
| N19 | C20 | H20B | 109.5° | 109.5° |
| N19 | C21 | H21 | 109.5° | 109.5° |
| N19 | C21 | H21A | 109.5° | 109.5° |
| N19 | C21 | H21B | 109.5° | 109.5° |
| C24 | C23 | H23 | 112.4° | 110.8° |
| C24 | C23 | H23A | 112.4° | 110.5° |
| C23 | C24 | H24 | 111.3° | 110.0° |
| C23 | C24 | H24A | 111.2° | 109.8° |
| C25 | C26 | C27 | 131.1° | 126.9° |
| C25 | C26 | N36 | 124.3° | 127.0° |
| C27 | C26 | N36 | 103.9° | 106.1° |
| C26 | C27 | C28 | 130.3° | 126.4° |
| C26 | C27 | N34 | 108.3° | 107.3° |
| C26 | N36 | C35 | 111.2° | 107.3° |
| C26 | N36 | C37 | 126.8° | 126.3° |
| C28 | C27 | N34 | 121.0° | 126.3° |
| C27 | C28 | C29 | 117.4° | 120.2° |
| C27 | C28 | C33 | 122.1° | 120.1° |
| C27 | N34 | C35 | 108.1° | 109.6° |
| C29 | C28 | C33 | 120.5° | 119.7° |
| C28 | C29 | C30 | 120.3° | 119.9° |
| C28 | C29 | H29 | 119.8° | 120.0° |
| C28 | C33 | C32 | 119.1° | 119.9° |
| C28 | C33 | H33 | 120.4° | 120.1° |
| C29 | C30 | C31 | 119.7° | 120.1° |
| C30 | C29 | H29 | 119.9° | 120.0° |
| C29 | C30 | H30 | 120.1° | 120.0° |
| C30 | C31 | C32 | 118.7° | 120.3° |
| C31 | C30 | H30 | 120.1° | 119.9° |
| C30 | C31 | H31 | 120.6° | 119.9° |
| C31 | C32 | C33 | 121.6° | 120.1° |
| C32 | C31 | H31 | 120.6° | 119.9° |
| C31 | C32 | H32 | 119.2° | 119.9° |
| C33 | C32 | H32 | 119.2° | 120.0° |
| C32 | C33 | H33 | 120.4° | 120.0° |
| N34 | C35 | N36 | 108.4° | 109.7° |
| N34 | C35 | H35 | 125.8° | 125.1° |
| C35 | N36 | C37 | 122.0° | 126.3° |
| N36 | C35 | H35 | 125.8° | 125.2° |
| N36 | C37 | C38 | 109.3° | 109.5° |
| N36 | C37 | H37 | 109.6° | 109.5° |
| N36 | C37 | H37A | 109.5° | 109.5° |
| C37 | C38 | C39 | 119.5° | 120.0° |
| C37 | C38 | C44 | 122.0° | 120.0° |
| C38 | C37 | H37 | 109.5° | 109.5° |
| C38 | C37 | H37A | 109.5° | 109.4° |
| C39 | C38 | C44 | 118.4° | 120.0° |
| C38 | C39 | C40 | 120.9° | 120.0° |
| C38 | C39 | H39 | 119.6° | 120.0° |
| C38 | C44 | C43 | 120.4° | 120.0° |
| C38 | C44 | H44 | 119.8° | 120.0° |
| C39 | C40 | C41 | 120.8° | 120.0° |
| C40 | C39 | H39 | 119.5° | 120.0° |
| C39 | C40 | H40 | 119.6° | 120.0° |
| C40 | C41 | CL42 | 121.6° | 120.0° |
| C40 | C41 | C43 | 118.7° | 120.0° |
| C41 | C40 | H40 | 119.6° | 120.0° |
| CL42 | C41 | C43 | 119.7° | 120.0° |
| C41 | C43 | C44 | 120.7° | 120.0° |
| C41 | C43 | H43 | 119.6° | 120.0° |
| C44 | C43 | H43 | 119.6° | 120.0° |
| C43 | C44 | H44 | 119.8° | 120.0° |
| H13 | C13 | H13A | 106.3° | 110.5° |
| H16 | C16 | H16A | 111.3° | 109.5° |
| H17 | C17 | H17A | 107.2° | 109.5° |
| H18 | C18 | H18A | 110.9° | 109.5° |
| H20 | C20 | H20A | 109.4° | 109.5° |
| H20 | C20 | H20B | 109.4° | 109.4° |
| H20A | C20 | H20B | 109.5° | 109.4° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| H21 | C21 | H21B | 109.5° | 109.5° |
| H21A | C21 | H21B | 109.4° | 109.4° |
| H22 | C22 | H22A | 109.5° | 109.5° |
| H22 | C22 | H22B | 109.4° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.4° |
| H23 | C23 | H23A | 106.4° | 110.8° |
| H24 | C24 | H24A | 107.6° | 110.0° |
| H37 | C37 | H37A | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C7 | H1 | 180.0° | 179.8° |
| C1 | C2 | CL3 | C4 | 178.9° | 179.9° |
| C1 | C2 | C4 | C5 | 1.2° | 0.1° |
| C2 | C1 | C7 | C6 | 2.2° | 0.0° |
| C2 | C1 | C7 | N8 | 178.3° | 180.0° |
| C1 | C2 | C4 | H4 | 178.8° | 180.0° |
| C7 | C1 | C2 | CL3 | 179.6° | 180.0° |
| C7 | C1 | C2 | C4 | 1.5° | 0.1° |
| C1 | C7 | C6 | C5 | 2.5° | 0.0° |
| C1 | C7 | C6 | N8 | 176.8° | 180.0° |
| C1 | C7 | C6 | C25 | 179.7° | 180.0° |
| C1 | C7 | N8 | C9 | 178.4° | 180.0° |
| C1 | C7 | N8 | HN8 | 1.6° | 0.1° |
| CL3 | C2 | C4 | C5 | 179.9° | 180.0° |
| CL3 | C2 | C1 | H1 | 0.5° | 0.2° |
| CL3 | C2 | C4 | H4 | 0.1° | 0.1° |
| C2 | C4 | C5 | H4 | 180.0° | 179.9° |
| C2 | C4 | C5 | C6 | 1.5° | 0.1° |
| C4 | C2 | C1 | H1 | 178.4° | 179.7° |
| C2 | C4 | C5 | H5 | 178.6° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 2.1° | 0.0° |
| C4 | C5 | C6 | C25 | 178.5° | 180.0° |
| C5 | C6 | C7 | C25 | 177.2° | 180.0° |
| C5 | C6 | C7 | N8 | 179.4° | 180.0° |
| C5 | C6 | C25 | C9 | 179.8° | 180.0° |
| C5 | C6 | C25 | C26 | 8.9° | 0.0° |
| C6 | C5 | C4 | H4 | 178.5° | 180.0° |
| C6 | C7 | N8 | C9 | 1.9° | 0.0° |
| C7 | C6 | C25 | C9 | 3.5° | 0.0° |
| C7 | C6 | C25 | C26 | 174.4° | 180.0° |
| C6 | C7 | C1 | H1 | 177.7° | 179.8° |
| C7 | C6 | C5 | H5 | 177.9° | 180.0° |
| C6 | C7 | N8 | HN8 | 178.1° | 179.9° |
| C25 | C6 | C7 | N8 | 3.4° | 0.0° |
| C6 | C25 | C9 | N8 | 2.4° | 0.0° |
| C6 | C25 | C9 | C10 | 178.5° | 179.9° |
| C6 | C25 | C9 | C26 | 169.8° | 179.9° |
| C6 | C25 | C26 | C27 | 58.3° | 90.0° |
| C6 | C25 | C26 | N36 | 110.3° | 89.7° |
| C25 | C6 | C5 | H5 | 1.6° | 0.0° |
| C7 | N8 | C9 | HN8 | 180.0° | 179.9° |
| C7 | N8 | C9 | C10 | 179.6° | 179.9° |
| C7 | N8 | C9 | C25 | 0.3° | 0.0° |
| N8 | C7 | C1 | H1 | 1.7° | 0.3° |
| N8 | C9 | C10 | C25 | 179.0° | 179.9° |
| N8 | C9 | C10 | O11 | 29.7° | 180.0° |
| N8 | C9 | C10 | N12 | 148.5° | 0.1° |
| N8 | C9 | C25 | C26 | 172.2° | 180.0° |
| C9 | C10 | O11 | N12 | 178.3° | 179.9° |
| C9 | C10 | N12 | C13 | 4.3° | 180.0° |
| C9 | C10 | N12 | C24 | 179.4° | 0.2° |
| C10 | C9 | C25 | C26 | 8.7° | 0.1° |
| C10 | C9 | N8 | HN8 | 0.4° | 0.0° |
| C25 | C9 | C10 | O11 | 151.3° | 0.1° |
| C25 | C9 | C10 | N12 | 30.5° | 179.9° |
| C9 | C25 | C26 | C27 | 133.5° | 90.1° |
| C9 | C25 | C26 | N36 | 57.9° | 90.2° |
| C25 | C9 | N8 | HN8 | 179.6° | 179.9° |
| O11 | C10 | N12 | C13 | 173.8° | 0.1° |
| O11 | C10 | N12 | C24 | 1.3° | 179.7° |
| C10 | N12 | C13 | C24 | 175.5° | 179.8° |
| C10 | N12 | C13 | C14 | 154.8° | 155.9° |
| C10 | N12 | C24 | C23 | 180.0° | 178.8° |
| C10 | N12 | C13 | H13 | 34.8° | 37.1° |
| C10 | N12 | C13 | H13A | 85.2° | 85.3° |
| C10 | N12 | C24 | H24 | 59.9° | 61.7° |
| C10 | N12 | C24 | H24A | 60.1° | 59.5° |
| N12 | C13 | C14 | H13 | 120.0° | 118.9° |
| N12 | C13 | C14 | H13A | 120.0° | 118.8° |
| N12 | C13 | C14 | N15 | 164.2° | 155.1° |
| N12 | C13 | C14 | C23 | 37.9° | 37.0° |
| C13 | N12 | C24 | C23 | 4.3° | 1.4° |
| N12 | C13 | H13 | H13A | 123.6° | 122.3° |
| N12 | C13 | C14 | H14 | 81.2° | 81.1° |
| C13 | N12 | C24 | H24 | 124.3° | 118.1° |
| C13 | N12 | C24 | H24A | 115.6° | 120.7° |
| C24 | N12 | C13 | C14 | 20.7° | 24.3° |
| N12 | C24 | C23 | C14 | 27.2° | 21.9° |
| N12 | C24 | C23 | H24 | 120.0° | 119.4° |
| N12 | C24 | C23 | H24A | 120.0° | 119.4° |
| C24 | N12 | C13 | H13 | 140.7° | 143.2° |
| C24 | N12 | C13 | H13A | 99.3° | 94.5° |
| N12 | C24 | C23 | H23 | 147.2° | 140.4° |
| N12 | C24 | C23 | H23A | 92.9° | 96.4° |
| N12 | C24 | H24 | H24A | 122.2° | 121.1° |
| C13 | C14 | N15 | C23 | 120.0° | 112.2° |
| C13 | C14 | N15 | H14 | 121.5° | 123.9° |
| C13 | C14 | C23 | H14 | 121.9° | 118.0° |
| C13 | C14 | N15 | C16 | 49.6° | 61.5° |
| C13 | C14 | N15 | C22 | 154.6° | 174.6° |
| C13 | C14 | C23 | C24 | 41.0° | 35.3° |
| C14 | C13 | H13 | H13A | 123.6° | 122.3° |
| C13 | C14 | C23 | H23 | 161.0° | 153.8° |
| C13 | C14 | C23 | H23A | 79.0° | 82.9° |
| N15 | C14 | C23 | H14 | 114.3° | 123.8° |
| C14 | N15 | C16 | C22 | 155.0° | 123.9° |
| C14 | N15 | C16 | C17 | 154.1° | 170.0° |
| N15 | C14 | C23 | C24 | 164.8° | 153.4° |
| N15 | C14 | C13 | H13 | 75.8° | 86.1° |
| N15 | C14 | C13 | H13A | 44.2° | 36.3° |
| C14 | N15 | C16 | H16 | 85.9° | 70.0° |
| C14 | N15 | C16 | H16A | 34.1° | 50.1° |
| C14 | N15 | C22 | H22 | 180.0° | 59.9° |
| C14 | N15 | C22 | H22A | 60.0° | 180.0° |
| C14 | N15 | C22 | H22B | 60.0° | 60.0° |
| N15 | C14 | C23 | H23 | 75.1° | 88.0° |
| N15 | C14 | C23 | H23A | 44.8° | 35.2° |
| C23 | C14 | N15 | C16 | 169.6° | 173.7° |
| C23 | C14 | N15 | C22 | 34.6° | 62.4° |
| C14 | C23 | C24 | H23 | 120.0° | 118.5° |
| C14 | C23 | C24 | H23A | 120.0° | 118.3° |
| C23 | C14 | C13 | H13 | 157.9° | 155.8° |
| C23 | C14 | C13 | H13A | 82.1° | 81.8° |
| C14 | C23 | H23 | H23A | 123.4° | 123.2° |
| C14 | C23 | C24 | H24 | 147.2° | 141.3° |
| C14 | C23 | C24 | H24A | 92.8° | 97.5° |
| N15 | C16 | C17 | H16 | 120.0° | 120.1° |
| N15 | C16 | C17 | H16A | 120.0° | 119.9° |
| N15 | C16 | C17 | C18 | 179.4° | 180.0° |
| C16 | N15 | C14 | H14 | 71.9° | 62.4° |
| N15 | C16 | H16 | H16A | 117.6° | 120.1° |
| N15 | C16 | C17 | H17 | 59.4° | 60.0° |
| N15 | C16 | C17 | H17A | 60.6° | 60.1° |
| C16 | N15 | C22 | H22 | 24.4° | 64.0° |
| C16 | N15 | C22 | H22A | 144.4° | 56.1° |
| C16 | N15 | C22 | H22B | 95.6° | 176.1° |
| C22 | N15 | C16 | C17 | 50.9° | 66.1° |
| C22 | N15 | C14 | H14 | 83.8° | 61.5° |
| C22 | N15 | C16 | H16 | 69.1° | 53.9° |
| C22 | N15 | C16 | H16A | 170.9° | 174.0° |
| N15 | C22 | H22 | H22A | 120.0° | 120.0° |
| N15 | C22 | H22 | H22B | 120.0° | 120.0° |
| N15 | C22 | H22A | H22B | 120.0° | 120.0° |
| C16 | C17 | C18 | H17 | 120.0° | 120.0° |
| C16 | C17 | C18 | H17A | 120.0° | 120.0° |
| C16 | C17 | C18 | N19 | 158.3° | 180.0° |
| C17 | C16 | H16 | H16A | 117.6° | 119.9° |
| C16 | C17 | H17 | H17A | 122.6° | 120.0° |
| C16 | C17 | C18 | H18 | 38.3° | 60.0° |
| C16 | C17 | C18 | H18A | 81.7° | 60.0° |
| C17 | C18 | N19 | H18 | 120.0° | 120.0° |
| C17 | C18 | N19 | H18A | 120.0° | 119.9° |
| C17 | C18 | N19 | C20 | 174.0° | 66.1° |
| C17 | C18 | N19 | C21 | 74.5° | 170.0° |
| C18 | C17 | C16 | H16 | 60.5° | 60.0° |
| C18 | C17 | C16 | H16A | 59.4° | 60.0° |
| C18 | C17 | H17 | H17A | 122.6° | 120.0° |
| C17 | C18 | H18 | H18A | 118.1° | 119.9° |
| C18 | N19 | C20 | C21 | 113.8° | 123.9° |
| N19 | C18 | C17 | H17 | 81.7° | 60.0° |
| N19 | C18 | C17 | H17A | 38.3° | 60.0° |
| N19 | C18 | H18 | H18A | 118.1° | 120.1° |
| C18 | N19 | C20 | H20 | 180.0° | 60.0° |
| C18 | N19 | C20 | H20A | 60.0° | 180.0° |
| C18 | N19 | C20 | H20B | 60.0° | 60.0° |
| C18 | N19 | C21 | H21 | 180.0° | 60.0° |
| C18 | N19 | C21 | H21A | 60.0° | 180.0° |
| C18 | N19 | C21 | H21B | 60.0° | 60.0° |
| C20 | N19 | C18 | H18 | 54.0° | 53.9° |
| C20 | N19 | C18 | H18A | 65.9° | 174.0° |
| N19 | C20 | H20 | H20A | 120.0° | 120.0° |
| N19 | C20 | H20 | H20B | 120.0° | 120.0° |
| N19 | C20 | H20A | H20B | 120.0° | 120.0° |
| C20 | N19 | C21 | H21 | 50.7° | 176.1° |
| C20 | N19 | C21 | H21A | 69.3° | 56.0° |
| C20 | N19 | C21 | H21B | 170.7° | 63.9° |
| C21 | N19 | C18 | H18 | 165.5° | 70.0° |
| C21 | N19 | C18 | H18A | 45.5° | 50.0° |
| C21 | N19 | C20 | H20 | 66.3° | 63.9° |
| C21 | N19 | C20 | H20A | 173.8° | 56.1° |
| C21 | N19 | C20 | H20B | 53.7° | 176.1° |
| N19 | C21 | H21 | H21A | 120.0° | 120.0° |
| N19 | C21 | H21 | H21B | 120.0° | 120.0° |
| N19 | C21 | H21A | H21B | 120.0° | 120.0° |
| C24 | C23 | C14 | H14 | 80.9° | 82.8° |
| C24 | C23 | H23 | H23A | 123.4° | 123.1° |
| C23 | C24 | H24 | H24A | 122.1° | 121.0° |
| C25 | C26 | C27 | N36 | 170.3° | 179.7° |
| C25 | C26 | C27 | C28 | 12.5° | 0.0° |
| C25 | C26 | C27 | N34 | 174.6° | 180.0° |
| C25 | C26 | N36 | C35 | 174.8° | 179.9° |
| C25 | C26 | N36 | C37 | 6.2° | 0.1° |
| C26 | C27 | C28 | N34 | 172.2° | 180.0° |
| C26 | C27 | C28 | C29 | 159.1° | 145.0° |
| C26 | C27 | C28 | C33 | 22.0° | 35.3° |
| C26 | C27 | N34 | C35 | 3.5° | 0.0° |
| C27 | C26 | N36 | C35 | 3.6° | 0.4° |
| C27 | C26 | N36 | C37 | 177.3° | 179.8° |
| N36 | C26 | C27 | C28 | 177.2° | 179.7° |
| N36 | C26 | C27 | N34 | 4.3° | 0.3° |
| C26 | N36 | C35 | N34 | 1.6° | 0.4° |
| C26 | N36 | C35 | C37 | 179.1° | 179.8° |
| C26 | N36 | C37 | C38 | 69.9° | 85.0° |
| C26 | N36 | C35 | H35 | 178.4° | 179.8° |
| C26 | N36 | C37 | H37 | 50.1° | 155.0° |
| C26 | N36 | C37 | H37A | 170.1° | 35.0° |
| C27 | C28 | C29 | C33 | 178.9° | 179.8° |
| C27 | C28 | C29 | C30 | 177.2° | 180.0° |
| C27 | C28 | C33 | C32 | 176.7° | 179.7° |
| C28 | C27 | N34 | C35 | 177.2° | 180.0° |
| C27 | C28 | C29 | H29 | 2.8° | 0.1° |
| C27 | C28 | C33 | H33 | 3.3° | 0.0° |
| N34 | C27 | C28 | C29 | 28.7° | 35.0° |
| N34 | C27 | C28 | C33 | 150.2° | 144.8° |
| C27 | N34 | C35 | N36 | 1.2° | 0.3° |
| C27 | N34 | C35 | H35 | 178.8° | 180.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.8° | 0.0° |
| C29 | C28 | C33 | C32 | 2.2° | 0.5° |
| C28 | C29 | C30 | H30 | 179.1° | 180.0° |
| C29 | C28 | C33 | H33 | 177.8° | 179.8° |
| C33 | C28 | C29 | C30 | 1.7° | 0.2° |
| C28 | C33 | C32 | C31 | 1.8° | 0.6° |
| C28 | C33 | C32 | H33 | 180.0° | 179.7° |
| C33 | C28 | C29 | H29 | 178.3° | 179.8° |
| C28 | C33 | C32 | H32 | 178.1° | 179.8° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.5° | 0.1° |
| C29 | C30 | C31 | H31 | 179.5° | 180.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 1.0° | 0.3° |
| C31 | C30 | C29 | H29 | 179.2° | 180.0° |
| C30 | C31 | C32 | H32 | 179.0° | 180.0° |
| C31 | C32 | C33 | H32 | 180.0° | 179.7° |
| C32 | C31 | C30 | H30 | 179.5° | 180.0° |
| C31 | C32 | C33 | H33 | 178.1° | 179.7° |
| C33 | C32 | C31 | H31 | 179.0° | 179.7° |
| N34 | C35 | N36 | H35 | 180.0° | 179.8° |
| N34 | C35 | N36 | C37 | 179.3° | 179.7° |
| C35 | N36 | C37 | C38 | 111.1° | 94.8° |
| C35 | N36 | C37 | H37 | 128.9° | 25.2° |
| C35 | N36 | C37 | H37A | 8.9° | 145.2° |
| N36 | C37 | C38 | H37 | 120.0° | 120.1° |
| N36 | C37 | C38 | H37A | 120.0° | 120.0° |
| N36 | C37 | C38 | C39 | 126.2° | 89.9° |
| N36 | C37 | C38 | C44 | 51.3° | 90.2° |
| C37 | N36 | C35 | H35 | 0.7° | 0.0° |
| N36 | C37 | H37 | H37A | 120.1° | 120.0° |
| C37 | C38 | C39 | C44 | 177.6° | 179.9° |
| C37 | C38 | C39 | C40 | 179.9° | 180.0° |
| C37 | C38 | C44 | C43 | 180.0° | 179.7° |
| C38 | C37 | H37 | H37A | 120.0° | 120.0° |
| C37 | C38 | C39 | H39 | 0.1° | 0.1° |
| C37 | C38 | C44 | H44 | 0.0° | 0.1° |
| C38 | C39 | C40 | H39 | 180.0° | 179.9° |
| C38 | C39 | C40 | C41 | 1.2° | 0.1° |
| C39 | C38 | C44 | C43 | 2.4° | 0.5° |
| C39 | C38 | C37 | H37 | 6.2° | 30.1° |
| C39 | C38 | C37 | H37A | 113.8° | 150.1° |
| C38 | C39 | C40 | H40 | 178.7° | 180.0° |
| C39 | C38 | C44 | H44 | 177.6° | 179.8° |
| C44 | C38 | C39 | C40 | 2.3° | 0.2° |
| C38 | C44 | C43 | C41 | 1.5° | 0.5° |
| C38 | C44 | C43 | H44 | 180.0° | 179.7° |
| C44 | C38 | C37 | H37 | 171.4° | 149.7° |
| C44 | C38 | C37 | H37A | 68.6° | 29.8° |
| C44 | C38 | C39 | H39 | 177.7° | 179.8° |
| C38 | C44 | C43 | H43 | 178.5° | 179.8° |
| C39 | C40 | C41 | H40 | 180.0° | 179.9° |
| C39 | C40 | C41 | CL42 | 179.7° | 180.0° |
| C39 | C40 | C41 | C43 | 0.3° | 0.0° |
| C40 | C41 | CL42 | C43 | 180.0° | 179.9° |
| C40 | C41 | C43 | C44 | 0.4° | 0.3° |
| C41 | C40 | C39 | H39 | 178.8° | 180.0° |
| C40 | C41 | C43 | H43 | 179.6° | 180.0° |
| CL42 | C41 | C43 | C44 | 179.5° | 179.7° |
| CL42 | C41 | C40 | H40 | 0.3° | 0.1° |
| CL42 | C41 | C43 | H43 | 0.5° | 0.0° |
| C41 | C43 | C44 | H43 | 180.0° | 179.7° |
| C43 | C41 | C40 | H40 | 179.7° | 180.0° |
| C41 | C43 | C44 | H44 | 178.5° | 179.7° |
| H4 | C4 | C5 | H5 | 1.4° | 0.0° |
| H13 | C13 | C14 | H14 | 38.7° | 37.8° |
| H13A | C13 | C14 | H14 | 158.7° | 160.1° |
| H14 | C14 | C23 | H23 | 39.1° | 35.8° |
| H14 | C14 | C23 | H23A | 159.1° | 159.1° |
| H16 | C16 | C17 | H17 | 179.5° | 180.0° |
| H16 | C16 | C17 | H17A | 59.4° | 60.0° |
| H16A | C16 | C17 | H17 | 60.6° | 60.0° |
| H16A | C16 | C17 | H17A | 179.4° | 180.0° |
| H17 | C17 | C18 | H18 | 158.3° | NaN° |
| H17 | C17 | C18 | H18A | 38.3° | 60.0° |
| H17A | C17 | C18 | H18 | 81.8° | 60.0° |
| H17A | C17 | C18 | H18A | 158.2° | 180.0° |
| H20 | C20 | H20A | H20B | 120.0° | 119.9° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
| H22 | C22 | H22A | H22B | 120.0° | 120.0° |
| H23 | C23 | C24 | H24 | 92.8° | 100.2° |
| H23 | C23 | C24 | H24A | 27.2° | 20.9° |
| H23A | C23 | C24 | H24 | 27.2° | 23.0° |
| H23A | C23 | C24 | H24A | 147.1° | 144.1° |
| H29 | C29 | C30 | H30 | 0.8° | 0.1° |
| H30 | C30 | C31 | H31 | 0.5° | 0.0° |
| H31 | C31 | C32 | H32 | 1.0° | 0.1° |
| H32 | C32 | C33 | H33 | 1.9° | 0.1° |
| H39 | C39 | C40 | H40 | 1.3° | 0.1° |
| H43 | C43 | C44 | H44 | 1.5° | 0.0° |
