FSS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C8 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| N5 | C4 | sing | 1.32Å | 1.39Å | Aromatic |
| C4 | N38 | sing | 1.39Å | 1.45Å | |
| C6 | N5 | doub | 1.33Å | 1.34Å | Aromatic |
| C6 | C7 | sing | 1.37Å | 1.46Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | C7 | sing | 1.51Å | 1.41Å | |
| C7 | C8 | doub | 1.40Å | 1.47Å | Aromatic |
| C8 | N9 | sing | 1.38Å | 1.42Å | |
| N11 | C10 | sing | 1.35Å | 1.48Å | |
| C10 | N9 | sing | 1.34Å | 1.46Å | |
| C10 | O34 | doub | 1.22Å | 1.26Å | |
| C14 | C15 | doub | 1.39Å | 1.48Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C15 | CL36 | sing | 1.74Å | 1.74Å | |
| C18 | C17 | sing | 1.38Å | 1.43Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N38 | C22 | sing | 1.40Å | 1.46Å | |
| C23 | C22 | doub | 1.39Å | 1.43Å | Aromatic |
| C22 | C27 | sing | 1.39Å | 1.44Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.44Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.44Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| N38 | HN38 | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | O28 | sing | 1.36Å | 1.38Å | |
| O28 | C29 | sing | 1.43Å | 1.43Å | |
| C29 | N30 | sing | 1.47Å | 1.48Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| N30 | C31 | sing | 1.47Å | 1.48Å | |
| N30 | C32 | sing | 1.47Å | 1.49Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C34 | C31 | sing | 1.53Å | 1.54Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| N9 | C37 | sing | 1.47Å | 1.49Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C12 | N11 | sing | 1.47Å | 1.45Å | |
| C14 | N11 | sing | 1.40Å | 1.41Å | |
| C19 | C14 | sing | 1.39Å | 1.47Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| CL35 | C19 | sing | 1.74Å | 1.73Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N3 | C8 | 119.0° | 120.3° |
| N3 | C4 | N5 | 124.0° | 122.1° |
| N3 | C4 | N38 | 116.8° | 118.9° |
| N3 | C8 | C7 | 121.6° | 118.6° |
| N3 | C8 | N9 | 119.3° | 121.6° |
| N5 | C4 | N38 | 119.2° | 119.0° |
| C4 | N5 | C6 | 119.4° | 120.8° |
| C4 | N38 | C22 | 124.7° | 120.0° |
| C4 | N38 | HN38 | 117.7° | 120.0° |
| N5 | C6 | C7 | 120.9° | 118.6° |
| N5 | C6 | H6 | 119.6° | 120.7° |
| C7 | C6 | H6 | 119.6° | 120.7° |
| C6 | C7 | C12 | 123.6° | 122.2° |
| C6 | C7 | C8 | 115.2° | 119.6° |
| C12 | C7 | C8 | 121.2° | 118.2° |
| C7 | C12 | N11 | 119.6° | 116.6° |
| C7 | C12 | H12 | 106.2° | 108.0° |
| C7 | C12 | H12A | 103.8° | 108.0° |
| C7 | C8 | N9 | 119.1° | 119.8° |
| C8 | N9 | C10 | 121.8° | 123.1° |
| C8 | N9 | C37 | 119.8° | 118.5° |
| N11 | C10 | N9 | 117.2° | 123.2° |
| N11 | C10 | O34 | 120.2° | 118.3° |
| C10 | N11 | C12 | 121.0° | 119.1° |
| C10 | N11 | C14 | 120.0° | 120.5° |
| N9 | C10 | O34 | 122.5° | 118.4° |
| C10 | N9 | C37 | 118.4° | 118.5° |
| C14 | C15 | C16 | 119.3° | 119.9° |
| C14 | C15 | CL36 | 120.8° | 120.1° |
| C15 | C14 | N11 | 118.1° | 120.1° |
| C15 | C14 | C19 | 119.2° | 119.9° |
| C16 | C15 | CL36 | 119.9° | 120.0° |
| C15 | C16 | C17 | 120.4° | 120.1° |
| C15 | C16 | H16 | 119.8° | 120.0° |
| C18 | C17 | C16 | 121.1° | 120.1° |
| C18 | C17 | H17 | 119.5° | 120.0° |
| C17 | C18 | C19 | 120.8° | 120.2° |
| C17 | C18 | H18 | 119.6° | 119.9° |
| C16 | C17 | H17 | 119.5° | 119.9° |
| C17 | C16 | H16 | 119.8° | 119.9° |
| N38 | C22 | C23 | 117.4° | 120.0° |
| N38 | C22 | C27 | 121.7° | 120.0° |
| C22 | N38 | HN38 | 117.7° | 120.0° |
| C23 | C22 | C27 | 120.9° | 120.0° |
| C22 | C23 | C24 | 119.3° | 120.0° |
| C22 | C23 | H23 | 120.4° | 120.0° |
| C22 | C27 | C26 | 120.0° | 120.0° |
| C22 | C27 | H27 | 120.0° | 120.0° |
| C23 | C24 | C25 | 119.6° | 120.0° |
| C23 | C24 | H24 | 120.2° | 120.0° |
| C24 | C23 | H23 | 120.4° | 120.0° |
| C25 | C24 | H24 | 120.2° | 119.9° |
| C24 | C25 | C26 | 120.7° | 120.1° |
| C24 | C25 | O28 | 117.5° | 120.0° |
| C27 | C26 | C25 | 119.6° | 120.0° |
| C27 | C26 | H26 | 120.2° | 120.0° |
| C26 | C27 | H27 | 120.0° | 120.1° |
| C25 | C26 | H26 | 120.2° | 120.0° |
| C26 | C25 | O28 | 121.8° | 119.9° |
| C25 | O28 | C29 | 122.8° | 117.0° |
| O28 | C29 | N30 | 111.4° | 109.5° |
| O28 | C29 | H29 | 108.8° | 109.5° |
| O28 | C29 | H29A | 108.4° | 109.5° |
| N30 | C29 | H29 | 108.8° | 109.5° |
| N30 | C29 | H29A | 108.4° | 109.4° |
| C29 | N30 | C31 | 108.7° | 111.0° |
| C29 | N30 | C32 | 111.7° | 111.0° |
| H29 | C29 | H29A | 111.0° | 109.4° |
| C31 | N30 | C32 | 110.3° | 111.0° |
| N30 | C31 | C34 | 111.5° | 109.4° |
| N30 | C31 | H31 | 108.8° | 109.5° |
| N30 | C31 | H31A | 108.3° | 109.5° |
| N30 | C32 | C33 | 111.7° | 109.5° |
| N30 | C32 | H32 | 108.7° | 109.5° |
| N30 | C32 | H32A | 108.2° | 109.5° |
| C33 | C32 | H32 | 108.7° | 109.4° |
| C33 | C32 | H32A | 108.2° | 109.5° |
| C32 | C33 | H33 | 109.5° | 109.5° |
| C32 | C33 | H33A | 109.5° | 109.4° |
| C32 | C33 | H33B | 109.5° | 109.5° |
| H32 | C32 | H32A | 111.3° | 109.5° |
| H33 | C33 | H33A | 109.5° | 109.5° |
| H33 | C33 | H33B | 109.4° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| C34 | C31 | H31 | 108.8° | 109.5° |
| C34 | C31 | H31A | 108.4° | 109.5° |
| C31 | C34 | H34 | 109.5° | 109.5° |
| C31 | C34 | H34A | 109.5° | 109.5° |
| C31 | C34 | H34B | 109.5° | 109.5° |
| H31 | C31 | H31A | 111.0° | 109.5° |
| H34 | C34 | H34A | 109.5° | 109.4° |
| H34 | C34 | H34B | 109.5° | 109.4° |
| H34A | C34 | H34B | 109.5° | 109.5° |
| N9 | C37 | H37 | 109.5° | 109.5° |
| N9 | C37 | H37A | 109.5° | 109.5° |
| N9 | C37 | H37B | 109.5° | 109.4° |
| H37 | C37 | H37A | 109.5° | 109.5° |
| H37 | C37 | H37B | 109.5° | 109.5° |
| H37A | C37 | H37B | 109.5° | 109.4° |
| C12 | N11 | C14 | 118.9° | 120.5° |
| N11 | C12 | H12 | 106.2° | 108.0° |
| N11 | C12 | H12A | 103.8° | 108.0° |
| N11 | C14 | C19 | 122.7° | 120.0° |
| C14 | C19 | C18 | 119.2° | 119.8° |
| C14 | C19 | CL35 | 121.0° | 120.1° |
| C19 | C18 | H18 | 119.6° | 119.9° |
| C18 | C19 | CL35 | 119.7° | 120.1° |
| H12 | C12 | H12A | 117.8° | 107.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C4 | N5 | N38 | 180.0° | 180.0° |
| N3 | C4 | N5 | C6 | 0.1° | 0.0° |
| C4 | N3 | C8 | C7 | 0.1° | 0.0° |
| C4 | N3 | C8 | N9 | 179.7° | 180.0° |
| N3 | C4 | N38 | C22 | 3.1° | 174.5° |
| N3 | C4 | N38 | HN38 | 177.0° | 5.6° |
| C8 | N3 | C4 | N5 | 0.1° | 0.0° |
| C8 | N3 | C4 | N38 | 179.9° | 180.0° |
| N3 | C8 | C7 | C6 | 0.1° | 0.0° |
| N3 | C8 | C7 | C12 | 179.5° | 179.9° |
| N3 | C8 | C7 | N9 | 179.6° | 180.0° |
| N3 | C8 | N9 | C10 | 179.4° | 180.0° |
| N3 | C8 | N9 | C37 | 0.4° | 0.0° |
| C4 | N5 | C6 | C7 | 0.1° | 0.0° |
| C4 | N5 | C6 | H6 | 179.9° | 180.0° |
| N5 | C4 | N38 | C22 | 176.9° | 5.5° |
| N5 | C4 | N38 | HN38 | 3.0° | 174.4° |
| N38 | C4 | N5 | C6 | 179.9° | 180.0° |
| C4 | N38 | C22 | HN38 | 180.0° | 180.0° |
| C4 | N38 | C22 | C23 | 136.6° | 38.0° |
| C4 | N38 | C22 | C27 | 43.4° | 142.3° |
| N5 | C6 | C7 | H6 | 180.0° | 180.0° |
| N5 | C6 | C7 | C12 | 179.4° | 180.0° |
| N5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C6 | C7 | C12 | C8 | 179.5° | 179.9° |
| C6 | C7 | C8 | N9 | 179.7° | 179.9° |
| C6 | C7 | C12 | N11 | 179.4° | 180.0° |
| C6 | C7 | C12 | H12 | 60.6° | 58.2° |
| C6 | C7 | C12 | H12A | 64.3° | 58.1° |
| H6 | C6 | C7 | C12 | 0.5° | 0.1° |
| H6 | C6 | C7 | C8 | 179.9° | 180.0° |
| C12 | C7 | C8 | N9 | 0.1° | 0.0° |
| C7 | C12 | N11 | C10 | 0.4° | 0.1° |
| C7 | C12 | N11 | H12 | 120.0° | 121.8° |
| C7 | C12 | N11 | H12A | 115.1° | 121.8° |
| C7 | C12 | N11 | C14 | 177.3° | 180.0° |
| C7 | C12 | H12 | H12A | 115.8° | 116.5° |
| C7 | C8 | N9 | C10 | 0.2° | 0.0° |
| C7 | C8 | N9 | C37 | 180.0° | 180.0° |
| C8 | C7 | C12 | N11 | 0.2° | 0.0° |
| C8 | C7 | C12 | H12 | 119.8° | 121.8° |
| C8 | C7 | C12 | H12A | 115.2° | 121.8° |
| C8 | N9 | C10 | N11 | 0.1° | 0.0° |
| C8 | N9 | C10 | C37 | 179.8° | 180.0° |
| C8 | N9 | C10 | O34 | 179.6° | 180.0° |
| C8 | N9 | C37 | H37 | 61.8° | 90.0° |
| C8 | N9 | C37 | H37A | 178.1° | 150.0° |
| C8 | N9 | C37 | H37B | 58.2° | 30.0° |
| N11 | C10 | N9 | O34 | 179.6° | 180.0° |
| C10 | N11 | C14 | C15 | 92.9° | 90.0° |
| N11 | C10 | N9 | C37 | 179.8° | 180.0° |
| C10 | N11 | C12 | C14 | 177.7° | 180.0° |
| C10 | N11 | C14 | C19 | 86.7° | 90.0° |
| C10 | N11 | C12 | H12 | 119.6° | 121.8° |
| C10 | N11 | C12 | H12A | 115.5° | 121.8° |
| C10 | N9 | C37 | H37 | 118.3° | 90.0° |
| C10 | N9 | C37 | H37A | 1.7° | 30.0° |
| C10 | N9 | C37 | H37B | 121.7° | 149.9° |
| N9 | C10 | N11 | C12 | 0.3° | 0.0° |
| N9 | C10 | N11 | C14 | 177.4° | 180.0° |
| O34 | C10 | N9 | C37 | 0.2° | 0.0° |
| O34 | C10 | N11 | C12 | 179.9° | 180.0° |
| O34 | C10 | N11 | C14 | 2.2° | 0.0° |
| C14 | C15 | C16 | CL36 | 179.7° | 179.8° |
| C14 | C15 | C16 | C17 | 0.2° | 0.2° |
| C15 | C14 | N11 | C12 | 84.8° | 90.0° |
| C15 | C14 | N11 | C19 | 179.6° | 180.0° |
| C14 | C15 | C16 | H16 | 179.9° | 179.8° |
| C15 | C14 | C19 | C18 | 0.1° | 0.0° |
| C15 | C14 | C19 | CL35 | 179.9° | 179.7° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | H17 | 179.8° | 180.0° |
| C16 | C15 | C14 | N11 | 179.8° | 179.8° |
| C16 | C15 | C14 | C19 | 0.2° | 0.2° |
| CL36 | C15 | C16 | C17 | 179.8° | 180.0° |
| CL36 | C15 | C14 | N11 | 0.6° | 0.0° |
| CL36 | C15 | C14 | C19 | 179.8° | 180.0° |
| CL36 | C15 | C16 | H16 | 0.2° | 0.0° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C17 | C18 | C19 | C14 | 0.1° | 0.2° |
| C18 | C17 | C16 | H16 | 179.9° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C17 | C18 | C19 | CL35 | 179.9° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.2° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| H17 | C17 | C16 | H16 | 0.2° | 0.1° |
| H17 | C17 | C18 | C19 | 179.8° | 179.8° |
| H17 | C17 | C18 | H18 | 0.1° | 0.0° |
| N38 | C22 | C23 | C27 | 180.0° | 179.7° |
| N38 | C22 | C23 | C24 | 180.0° | 179.7° |
| N38 | C22 | C27 | C26 | 180.0° | 180.0° |
| N38 | C22 | C23 | H23 | 0.0° | 0.4° |
| N38 | C22 | C27 | H27 | 0.0° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C22 | C23 | C24 | H24 | 180.0° | 179.8° |
| C23 | C22 | C27 | C26 | 0.0° | 0.3° |
| C23 | C22 | N38 | HN38 | 43.4° | 142.0° |
| C23 | C22 | C27 | H27 | 180.0° | 179.7° |
| C27 | C22 | C23 | C24 | 0.0° | 0.0° |
| C22 | C27 | C26 | H27 | 180.0° | 180.0° |
| C22 | C27 | C26 | C25 | 0.1° | 0.5° |
| C22 | C27 | C26 | H26 | 179.8° | 180.0° |
| C27 | C22 | N38 | HN38 | 136.6° | 37.7° |
| C27 | C22 | C23 | H23 | 180.0° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.8° |
| C23 | C24 | C25 | C26 | 0.1° | 0.3° |
| C23 | C24 | C25 | O28 | 179.9° | 179.8° |
| C24 | C25 | C26 | C27 | 0.2° | 0.5° |
| C24 | C25 | C26 | O28 | 180.0° | 180.0° |
| C24 | C25 | C26 | H26 | 179.8° | 180.0° |
| C25 | C24 | C23 | H23 | 180.0° | 180.0° |
| C24 | C25 | O28 | C29 | 180.0° | 180.0° |
| H24 | C24 | C25 | C26 | 179.9° | 180.0° |
| H24 | C24 | C23 | H23 | 0.0° | 0.3° |
| H24 | C24 | C25 | O28 | 0.1° | 0.0° |
| C27 | C26 | C25 | H26 | 180.0° | 179.5° |
| C27 | C26 | C25 | O28 | 179.8° | 179.5° |
| C26 | C25 | O28 | C29 | 0.0° | 0.0° |
| C25 | C26 | C27 | H27 | 179.9° | 179.4° |
| H26 | C26 | C25 | O28 | 0.2° | 0.0° |
| H26 | C26 | C27 | H27 | 0.1° | 0.1° |
| C25 | O28 | C29 | N30 | 143.0° | 80.0° |
| C25 | O28 | C29 | H29 | 97.0° | 160.0° |
| C25 | O28 | C29 | H29A | 23.8° | 40.0° |
| O28 | C29 | N30 | H29 | 120.0° | 120.0° |
| O28 | C29 | N30 | H29A | 119.2° | 120.1° |
| O28 | C29 | H29 | H29A | 119.2° | 120.1° |
| O28 | C29 | N30 | C31 | 128.0° | 155.0° |
| O28 | C29 | N30 | C32 | 110.1° | 81.0° |
| N30 | C29 | H29 | H29A | 119.2° | 119.9° |
| C29 | N30 | C31 | C32 | 122.8° | 124.0° |
| C29 | N30 | C32 | C33 | 116.7° | 76.3° |
| C29 | N30 | C32 | H32 | 123.4° | 43.6° |
| C29 | N30 | C32 | H32A | 2.4° | 163.6° |
| C29 | N30 | C31 | C34 | 120.6° | 163.1° |
| C29 | N30 | C31 | H31 | 0.6° | 76.9° |
| C29 | N30 | C31 | H31A | 120.2° | 43.1° |
| H29 | C29 | N30 | C31 | 8.0° | 85.0° |
| H29 | C29 | N30 | C32 | 130.0° | 39.0° |
| H29A | C29 | N30 | C31 | 112.8° | 34.9° |
| H29A | C29 | N30 | C32 | 9.1° | 158.9° |
| C31 | N30 | C32 | C33 | 122.3° | 159.8° |
| C31 | N30 | C32 | H32 | 2.3° | 80.3° |
| C31 | N30 | C32 | H32A | 118.7° | 39.7° |
| N30 | C31 | C34 | H31 | 120.0° | 120.0° |
| N30 | C31 | C34 | H31A | 119.1° | 120.0° |
| N30 | C31 | H31 | H31A | 119.2° | 120.0° |
| N30 | C31 | C34 | H34 | 67.8° | 51.9° |
| N30 | C31 | C34 | H34A | 172.2° | 68.0° |
| N30 | C31 | C34 | H34B | 52.2° | 171.9° |
| N30 | C32 | C33 | H32 | 120.0° | 120.0° |
| N30 | C32 | C33 | H32A | 119.0° | 120.0° |
| N30 | C32 | H32 | H32A | 119.1° | 120.0° |
| N30 | C32 | C33 | H33 | 39.3° | 173.2° |
| N30 | C32 | C33 | H33A | 80.7° | 53.3° |
| N30 | C32 | C33 | H33B | 159.3° | 66.8° |
| C32 | N30 | C31 | C34 | 116.5° | 72.9° |
| C32 | N30 | C31 | H31 | 123.5° | 47.0° |
| C32 | N30 | C31 | H31A | 2.6° | 167.1° |
| C33 | C32 | H32 | H32A | 119.1° | 120.0° |
| C32 | C33 | H33 | H33A | 120.0° | 120.0° |
| C32 | C33 | H33 | H33B | 120.0° | 120.1° |
| C32 | C33 | H33A | H33B | 120.0° | 120.1° |
| H32 | C32 | C33 | H33 | 159.3° | 66.8° |
| H32 | C32 | C33 | H33A | 39.3° | 173.2° |
| H32 | C32 | C33 | H33B | 80.7° | 53.2° |
| H32A | C32 | C33 | H33 | 79.7° | 53.2° |
| H32A | C32 | C33 | H33A | 160.3° | 66.8° |
| H32A | C32 | C33 | H33B | 40.3° | 173.2° |
| H33 | C33 | H33A | H33B | 120.0° | 120.0° |
| C34 | C31 | H31 | H31A | 119.2° | 120.0° |
| C31 | C34 | H34 | H34A | 120.0° | 120.0° |
| C31 | C34 | H34 | H34B | 120.0° | 120.0° |
| C31 | C34 | H34A | H34B | 120.0° | 120.1° |
| H31 | C31 | C34 | H34 | 52.2° | 171.9° |
| H31 | C31 | C34 | H34A | 67.8° | 51.9° |
| H31 | C31 | C34 | H34B | 172.2° | 68.1° |
| H31A | C31 | C34 | H34 | 173.1° | 68.0° |
| H31A | C31 | C34 | H34A | 53.1° | 172.0° |
| H31A | C31 | C34 | H34B | 66.9° | 51.9° |
| H34 | C34 | H34A | H34B | 120.0° | 119.9° |
| N9 | C37 | H37 | H37A | 120.0° | 120.0° |
| N9 | C37 | H37 | H37B | 120.0° | 120.0° |
| N9 | C37 | H37A | H37B | 120.0° | 120.0° |
| H37 | C37 | H37A | H37B | 120.0° | 120.0° |
| C12 | N11 | C14 | C19 | 95.6° | 90.0° |
| N11 | C12 | H12 | H12A | 115.8° | 116.5° |
| N11 | C14 | C19 | C18 | 179.7° | 180.0° |
| N11 | C14 | C19 | CL35 | 0.5° | 0.3° |
| C14 | N11 | C12 | H12 | 62.7° | 58.2° |
| C14 | N11 | C12 | H12A | 62.3° | 58.2° |
| C14 | C19 | C18 | CL35 | 179.8° | 179.7° |
| C14 | C19 | C18 | H18 | 179.9° | 180.0° |
| H18 | C18 | C19 | CL35 | 0.1° | 0.2° |
