XLC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | N7 | sing | 1.40Å | 1.36Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | HC3 | sing | 1.08Å | 1.10Å | |
| C4 | CL1 | sing | 1.74Å | 1.71Å | |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | HC5 | sing | 1.08Å | 1.10Å | |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| N7 | C9 | sing | 1.35Å | 1.38Å | |
| N7 | HN7 | sing | 0.97Å | 1.02Å | |
| C9 | O10 | doub | 1.22Å | 1.27Å | |
| C9 | C11 | sing | 1.48Å | 1.43Å | |
| C11 | C12 | doub | 1.40Å | 1.47Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | N17 | sing | 1.39Å | 1.38Å | |
| C13 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | HC13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.39Å | 1.43Å | Aromatic |
| C14 | HC14 | sing | 1.08Å | 1.10Å | |
| C15 | CL2 | sing | 1.74Å | 1.70Å | |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | HC16 | sing | 1.08Å | 1.10Å | |
| N17 | C19 | sing | 1.35Å | 1.37Å | |
| N17 | HN17 | sing | 0.97Å | 1.02Å | |
| C19 | O20 | doub | 1.22Å | 1.26Å | |
| C19 | C21 | sing | 1.46Å | 1.45Å | |
| C21 | S22 | sing | 1.78Å | 1.75Å | Aromatic |
| C21 | C25 | doub | 1.39Å | 1.42Å | Aromatic |
| S22 | C23 | sing | 1.73Å | 1.71Å | Aromatic |
| C23 | C24 | doub | 1.36Å | 1.38Å | Aromatic |
| C23 | HC23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | sing | 1.37Å | 1.41Å | Aromatic |
| C24 | C26 | sing | 1.51Å | 1.50Å | |
| C25 | CL3 | sing | 1.74Å | 1.67Å | |
| C26 | N27 | sing | 1.47Å | 1.49Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| N27 | C29 | sing | 1.47Å | 1.49Å | |
| N27 | C34 | sing | 1.47Å | 1.49Å | |
| C29 | C30 | sing | 1.53Å | 1.56Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C30 | N31 | sing | 1.47Å | 1.50Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| N31 | C33 | sing | 1.47Å | 1.48Å | |
| N31 | C35 | sing | 1.47Å | 1.49Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C33 | H331 | sing | 1.09Å | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C34 | H341 | sing | 1.09Å | 1.12Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C35 | H353 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.2° | 119.9° |
| C2 | C1 | N7 | 123.4° | 120.1° |
| C1 | C2 | C3 | 120.2° | 120.0° |
| C1 | C2 | HC2 | 121.0° | 120.0° |
| C6 | C1 | N7 | 117.4° | 120.1° |
| C1 | C6 | C5 | 120.3° | 119.9° |
| C1 | C6 | HC6 | 120.3° | 120.0° |
| C1 | N7 | C9 | 127.3° | 120.0° |
| C1 | N7 | HN7 | 115.7° | 120.0° |
| C3 | C2 | HC2 | 118.8° | 120.0° |
| C2 | C3 | C4 | 121.0° | 120.1° |
| C2 | C3 | HC3 | 118.9° | 120.0° |
| C4 | C3 | HC3 | 120.1° | 120.0° |
| C3 | C4 | CL1 | 119.6° | 120.0° |
| C3 | C4 | C5 | 119.0° | 120.1° |
| CL1 | C4 | C5 | 121.4° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.1° |
| C4 | C5 | HC5 | 120.6° | 119.9° |
| C6 | C5 | HC5 | 119.2° | 119.9° |
| C5 | C6 | HC6 | 119.4° | 120.1° |
| C9 | N7 | HN7 | 117.0° | 120.0° |
| N7 | C9 | O10 | 120.5° | 120.1° |
| N7 | C9 | C11 | 119.2° | 119.9° |
| O10 | C9 | C11 | 120.3° | 120.0° |
| C9 | C11 | C12 | 124.1° | 120.2° |
| C9 | C11 | C16 | 117.0° | 120.2° |
| C12 | C11 | C16 | 118.9° | 119.6° |
| C11 | C12 | C13 | 118.7° | 119.7° |
| C11 | C12 | N17 | 121.2° | 120.1° |
| C11 | C16 | C15 | 121.5° | 119.9° |
| C11 | C16 | HC16 | 119.9° | 120.0° |
| C13 | C12 | N17 | 120.2° | 120.2° |
| C12 | C13 | C14 | 121.0° | 120.1° |
| C12 | C13 | HC13 | 119.7° | 120.0° |
| C12 | N17 | C19 | 127.0° | 120.0° |
| C12 | N17 | HN17 | 116.9° | 120.1° |
| C14 | C13 | HC13 | 119.3° | 120.0° |
| C13 | C14 | C15 | 120.5° | 120.4° |
| C13 | C14 | HC14 | 119.5° | 119.7° |
| C15 | C14 | HC14 | 120.0° | 119.8° |
| C14 | C15 | CL2 | 120.7° | 119.8° |
| C14 | C15 | C16 | 119.4° | 120.3° |
| CL2 | C15 | C16 | 119.8° | 119.9° |
| C15 | C16 | HC16 | 118.6° | 120.1° |
| C19 | N17 | HN17 | 116.1° | 120.0° |
| N17 | C19 | O20 | 117.0° | 120.0° |
| N17 | C19 | C21 | 124.6° | 120.0° |
| O20 | C19 | C21 | 118.2° | 120.0° |
| C19 | C21 | S22 | 118.4° | 129.1° |
| C19 | C21 | C25 | 131.1° | 129.1° |
| S22 | C21 | C25 | 110.5° | 101.8° |
| C21 | S22 | C23 | 90.5° | 98.7° |
| C21 | C25 | C24 | 113.2° | 117.1° |
| C21 | C25 | CL3 | 125.7° | 121.5° |
| S22 | C23 | C24 | 115.2° | 103.3° |
| S22 | C23 | HC23 | 131.8° | 128.5° |
| C24 | C23 | HC23 | 112.9° | 128.3° |
| C23 | C24 | C25 | 110.5° | 119.2° |
| C23 | C24 | C26 | 121.2° | 120.4° |
| C25 | C24 | C26 | 128.3° | 120.4° |
| C24 | C25 | CL3 | 121.0° | 121.4° |
| C24 | C26 | N27 | 119.3° | 109.5° |
| C24 | C26 | H261 | 108.7° | 109.5° |
| C24 | C26 | H262 | 108.7° | 109.5° |
| N27 | C26 | H261 | 108.7° | 109.5° |
| N27 | C26 | H262 | 108.7° | 109.4° |
| C26 | N27 | C29 | 117.3° | 106.7° |
| C26 | N27 | C34 | 113.1° | 106.7° |
| H261 | C26 | H262 | 101.3° | 109.5° |
| C29 | N27 | C34 | 111.3° | 106.8° |
| N27 | C29 | C30 | 110.3° | 109.6° |
| N27 | C29 | H291 | 111.9° | 109.4° |
| N27 | C29 | H292 | 111.9° | 109.5° |
| N27 | C34 | C33 | 110.0° | 109.6° |
| N27 | C34 | H341 | 112.0° | 109.4° |
| N27 | C34 | H342 | 112.0° | 109.5° |
| C30 | C29 | H291 | 111.9° | 109.4° |
| C30 | C29 | H292 | 111.9° | 109.4° |
| C29 | C30 | N31 | 111.0° | 109.7° |
| C29 | C30 | H301 | 111.6° | 109.4° |
| C29 | C30 | H302 | 111.6° | 109.4° |
| H291 | C29 | H292 | 98.5° | 109.5° |
| N31 | C30 | H301 | 111.6° | 109.5° |
| N31 | C30 | H302 | 111.6° | 109.4° |
| C30 | N31 | C33 | 113.7° | 106.8° |
| C30 | N31 | C35 | 112.1° | 106.7° |
| H301 | C30 | H302 | 98.7° | 109.4° |
| C33 | N31 | C35 | 111.7° | 106.7° |
| N31 | C33 | C34 | 110.3° | 109.7° |
| N31 | C33 | H331 | 111.9° | 109.5° |
| N31 | C33 | H332 | 111.9° | 109.4° |
| N31 | C35 | H351 | 111.2° | 109.4° |
| N31 | C35 | H352 | 112.1° | 109.4° |
| N31 | C35 | H353 | 111.3° | 109.5° |
| C34 | C33 | H331 | 111.9° | 109.4° |
| C34 | C33 | H332 | 111.8° | 109.5° |
| C33 | C34 | H341 | 112.0° | 109.5° |
| C33 | C34 | H342 | 112.0° | 109.4° |
| H331 | C33 | H332 | 98.5° | 109.4° |
| H341 | C34 | H342 | 98.4° | 109.4° |
| H351 | C35 | H352 | 111.3° | 109.5° |
| H351 | C35 | H353 | 99.1° | 109.5° |
| H352 | C35 | H353 | 111.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | N7 | 179.5° | 179.8° |
| C1 | C2 | C3 | HC2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.7° | 0.1° |
| C1 | C2 | C3 | HC3 | 179.3° | 180.0° |
| C2 | C1 | C6 | C5 | 1.0° | 0.4° |
| C2 | C1 | C6 | HC6 | 179.0° | 180.0° |
| C2 | C1 | N7 | C9 | 33.3° | 145.2° |
| C2 | C1 | N7 | HN7 | 146.6° | 34.8° |
| C6 | C1 | C2 | C3 | 1.1° | 0.2° |
| C6 | C1 | C2 | HC2 | 179.0° | 179.8° |
| C1 | C6 | C5 | C4 | 0.5° | 0.5° |
| C1 | C6 | C5 | HC6 | 180.0° | 179.6° |
| C1 | C6 | C5 | HC5 | 179.5° | 179.8° |
| C6 | C1 | N7 | C9 | 146.1° | 34.9° |
| C6 | C1 | N7 | HN7 | 33.9° | 145.0° |
| N7 | C1 | C2 | C3 | 178.4° | 180.0° |
| N7 | C1 | C2 | HC2 | 1.6° | 0.1° |
| N7 | C1 | C6 | C5 | 178.5° | 179.7° |
| N7 | C1 | C6 | HC6 | 1.5° | 0.2° |
| C1 | N7 | C9 | HN7 | 180.0° | 179.9° |
| C1 | N7 | C9 | O10 | 0.1° | 0.4° |
| C1 | N7 | C9 | C11 | 179.5° | 179.6° |
| C2 | C3 | C4 | HC3 | 180.0° | 179.9° |
| C2 | C3 | C4 | CL1 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| HC2 | C2 | C3 | C4 | 179.3° | 180.0° |
| HC2 | C2 | C3 | HC3 | 0.7° | 0.1° |
| C3 | C4 | CL1 | C5 | 179.5° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C3 | C4 | C5 | HC5 | 179.9° | 180.0° |
| HC3 | C3 | C4 | CL1 | 0.3° | 0.1° |
| HC3 | C3 | C4 | C5 | 179.8° | 179.9° |
| CL1 | C4 | C5 | C6 | 179.6° | 179.7° |
| CL1 | C4 | C5 | HC5 | 0.4° | 0.0° |
| C4 | C5 | C6 | HC5 | 180.0° | 179.7° |
| C4 | C5 | C6 | HC6 | 179.5° | 179.9° |
| HC5 | C5 | C6 | HC6 | 0.5° | 0.2° |
| N7 | C9 | O10 | C11 | 179.6° | 179.9° |
| N7 | C9 | C11 | C12 | 141.9° | 174.9° |
| N7 | C9 | C11 | C16 | 37.2° | 5.6° |
| HN7 | N7 | C9 | O10 | 179.9° | 179.7° |
| HN7 | N7 | C9 | C11 | 0.5° | 0.4° |
| O10 | C9 | C11 | C12 | 38.6° | 5.0° |
| O10 | C9 | C11 | C16 | 142.4° | 174.4° |
| C9 | C11 | C12 | C16 | 179.1° | 179.5° |
| C9 | C11 | C12 | C13 | 178.9° | 180.0° |
| C9 | C11 | C12 | N17 | 0.3° | 0.3° |
| C9 | C11 | C16 | C15 | 178.9° | 180.0° |
| C9 | C11 | C16 | HC16 | 1.1° | 0.3° |
| C11 | C12 | C13 | N17 | 179.2° | 179.7° |
| C11 | C12 | C13 | C14 | 0.1° | 0.3° |
| C11 | C12 | C13 | HC13 | 179.9° | 179.8° |
| C12 | C11 | C16 | C15 | 0.2° | 0.5° |
| C12 | C11 | C16 | HC16 | 179.8° | 179.7° |
| C11 | C12 | N17 | C19 | 124.2° | 153.4° |
| C11 | C12 | N17 | HN17 | 55.8° | 26.6° |
| C16 | C11 | C12 | C13 | 0.1° | 0.5° |
| C16 | C11 | C12 | N17 | 179.3° | 179.8° |
| C11 | C16 | C15 | C14 | 0.1° | 0.2° |
| C11 | C16 | C15 | CL2 | 179.6° | 179.7° |
| C11 | C16 | C15 | HC16 | 180.0° | 179.7° |
| C12 | C13 | C14 | HC13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C12 | C13 | C14 | HC14 | 179.9° | 180.0° |
| C13 | C12 | N17 | C19 | 55.0° | 27.0° |
| C13 | C12 | N17 | HN17 | 125.0° | 153.1° |
| N17 | C12 | C13 | C14 | 179.2° | 180.0° |
| N17 | C12 | C13 | HC13 | 0.8° | 0.1° |
| C12 | N17 | C19 | HN17 | 180.0° | 179.9° |
| C12 | N17 | C19 | O20 | 1.7° | 5.6° |
| C12 | N17 | C19 | C21 | 176.4° | 174.3° |
| C13 | C14 | C15 | HC14 | 180.0° | 180.0° |
| C13 | C14 | C15 | CL2 | 179.8° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| HC13 | C13 | C14 | C15 | 179.8° | 180.0° |
| HC13 | C13 | C14 | HC14 | 0.1° | 0.1° |
| C14 | C15 | CL2 | C16 | 179.7° | 180.0° |
| C14 | C15 | C16 | HC16 | 179.8° | 180.0° |
| HC14 | C14 | C15 | CL2 | 0.2° | 0.0° |
| HC14 | C14 | C15 | C16 | 180.0° | 180.0° |
| CL2 | C15 | C16 | HC16 | 0.4° | 0.0° |
| N17 | C19 | O20 | C21 | 175.0° | 179.9° |
| N17 | C19 | C21 | S22 | 164.0° | 0.1° |
| N17 | C19 | C21 | C25 | 13.7° | 179.7° |
| HN17 | N17 | C19 | O20 | 178.3° | 174.4° |
| HN17 | N17 | C19 | C21 | 3.7° | 5.7° |
| O20 | C19 | C21 | S22 | 10.6° | 179.9° |
| O20 | C19 | C21 | C25 | 171.7° | 0.4° |
| C19 | C21 | S22 | C25 | 178.2° | 179.7° |
| C19 | C21 | S22 | C23 | 177.5° | 180.0° |
| C19 | C21 | C25 | C24 | 176.8° | 179.8° |
| C19 | C21 | C25 | CL3 | 2.2° | 0.3° |
| C21 | S22 | C23 | C24 | 0.2° | 0.0° |
| C21 | S22 | C23 | HC23 | 179.8° | 180.0° |
| S22 | C21 | C25 | C24 | 1.1° | 0.5° |
| S22 | C21 | C25 | CL3 | 180.0° | 179.9° |
| C25 | C21 | S22 | C23 | 0.7° | 0.3° |
| C21 | C25 | C24 | C23 | 0.9° | 0.6° |
| C21 | C25 | C24 | CL3 | 179.0° | 179.6° |
| C21 | C25 | C24 | C26 | 178.0° | 179.8° |
| S22 | C23 | C24 | HC23 | 180.0° | 180.0° |
| S22 | C23 | C24 | C25 | 0.4° | 0.3° |
| S22 | C23 | C24 | C26 | 178.6° | 179.9° |
| C23 | C24 | C25 | C26 | 179.0° | 179.6° |
| C23 | C24 | C25 | CL3 | 180.0° | 179.9° |
| C23 | C24 | C26 | N27 | 83.4° | 12.5° |
| C23 | C24 | C26 | H261 | 41.9° | 107.6° |
| C23 | C24 | C26 | H262 | 151.4° | 132.4° |
| HC23 | C23 | C24 | C25 | 179.6° | 179.7° |
| HC23 | C23 | C24 | C26 | 1.4° | 0.1° |
| C25 | C24 | C26 | N27 | 97.8° | 167.9° |
| C25 | C24 | C26 | H261 | 137.0° | 72.1° |
| C25 | C24 | C26 | H262 | 27.5° | 47.9° |
| C26 | C24 | C25 | CL3 | 1.0° | 0.2° |
| C24 | C26 | N27 | H261 | 125.3° | 120.1° |
| C24 | C26 | N27 | H262 | 125.3° | 120.0° |
| C24 | C26 | H261 | H262 | 114.4° | 120.0° |
| C24 | C26 | N27 | C29 | 51.6° | 177.6° |
| C24 | C26 | N27 | C34 | 80.1° | 63.6° |
| N27 | C26 | H261 | H262 | 114.3° | 119.9° |
| C26 | N27 | C29 | C34 | 132.5° | 113.9° |
| C26 | N27 | C29 | C30 | 169.4° | 175.1° |
| C26 | N27 | C29 | H291 | 65.3° | 64.9° |
| C26 | N27 | C29 | H292 | 44.2° | 55.1° |
| C26 | N27 | C34 | C33 | 165.4° | 175.1° |
| C26 | N27 | C34 | H341 | 40.1° | 64.9° |
| C26 | N27 | C34 | H342 | 69.3° | 55.1° |
| H261 | C26 | N27 | C29 | 73.7° | 62.4° |
| H261 | C26 | N27 | C34 | 154.7° | 176.3° |
| H262 | C26 | N27 | C29 | 176.9° | 57.6° |
| H262 | C26 | N27 | C34 | 45.2° | 56.4° |
| N27 | C29 | C30 | H291 | 125.3° | 120.0° |
| N27 | C29 | C30 | H292 | 125.2° | 120.1° |
| N27 | C29 | H291 | H292 | 117.8° | 120.0° |
| N27 | C29 | C30 | N31 | 52.9° | 63.0° |
| N27 | C29 | C30 | H301 | 178.1° | 57.1° |
| N27 | C29 | C30 | H302 | 72.4° | 177.0° |
| C29 | N27 | C34 | C33 | 60.0° | 61.2° |
| C29 | N27 | C34 | H341 | 174.7° | 178.7° |
| C29 | N27 | C34 | H342 | 65.2° | 58.8° |
| C34 | N27 | C29 | C30 | 58.1° | 61.2° |
| C34 | N27 | C29 | H291 | 67.2° | 178.8° |
| C34 | N27 | C29 | H292 | 176.7° | 58.8° |
| N27 | C34 | C33 | N31 | 56.7° | 63.0° |
| N27 | C34 | C33 | H341 | 125.2° | 120.0° |
| N27 | C34 | C33 | H342 | 125.3° | 120.1° |
| N27 | C34 | C33 | H331 | 178.0° | 177.0° |
| N27 | C34 | C33 | H332 | 68.6° | 57.1° |
| N27 | C34 | H341 | H342 | 117.9° | 119.9° |
| C30 | C29 | H291 | H292 | 117.8° | 119.9° |
| C29 | C30 | N31 | H301 | 125.2° | 120.1° |
| C29 | C30 | N31 | H302 | 125.3° | 120.0° |
| C29 | C30 | H301 | H302 | 117.5° | 119.8° |
| C29 | C30 | N31 | C33 | 52.1° | 61.2° |
| C29 | C30 | N31 | C35 | 180.0° | 175.1° |
| H291 | C29 | C30 | N31 | 72.4° | 177.0° |
| H291 | C29 | C30 | H301 | 52.9° | 62.9° |
| H291 | C29 | C30 | H302 | 162.3° | 56.9° |
| H292 | C29 | C30 | N31 | 178.1° | 57.1° |
| H292 | C29 | C30 | H301 | 56.6° | 177.2° |
| H292 | C29 | C30 | H302 | 52.8° | 63.0° |
| N31 | C30 | H301 | H302 | 117.5° | 119.9° |
| C30 | N31 | C33 | C35 | 128.1° | 113.8° |
| C30 | N31 | C33 | C34 | 53.8° | 61.2° |
| C30 | N31 | C33 | H331 | 179.1° | 178.7° |
| C30 | N31 | C33 | H332 | 71.5° | 58.9° |
| C30 | N31 | C35 | H351 | 54.7° | 180.0° |
| C30 | N31 | C35 | H352 | 180.0° | 60.0° |
| C30 | N31 | C35 | H353 | 54.8° | 60.0° |
| H301 | C30 | N31 | C33 | 177.4° | 58.8° |
| H301 | C30 | N31 | C35 | 54.7° | 55.0° |
| H302 | C30 | N31 | C33 | 73.2° | 178.7° |
| H302 | C30 | N31 | C35 | 54.7° | 64.9° |
| N31 | C33 | C34 | H331 | 125.3° | 120.1° |
| N31 | C33 | C34 | H332 | 125.3° | 120.1° |
| N31 | C33 | H331 | H332 | 117.8° | 119.9° |
| N31 | C33 | C34 | H341 | 178.0° | 177.0° |
| N31 | C33 | C34 | H342 | 68.6° | 57.1° |
| C33 | N31 | C35 | H351 | 176.3° | 66.0° |
| C33 | N31 | C35 | H352 | 51.0° | 174.0° |
| C33 | N31 | C35 | H353 | 74.2° | 53.9° |
| C35 | N31 | C33 | C34 | 178.1° | 175.1° |
| C35 | N31 | C33 | H331 | 52.9° | 64.9° |
| C35 | N31 | C33 | H332 | 56.6° | 55.0° |
| N31 | C35 | H351 | H352 | 125.7° | 120.0° |
| N31 | C35 | H351 | H353 | 117.2° | 120.0° |
| N31 | C35 | H352 | H353 | 125.2° | 120.0° |
| C34 | C33 | H331 | H332 | 117.7° | 119.9° |
| C33 | C34 | H341 | H342 | 117.9° | 119.9° |
| H331 | C33 | C34 | H341 | 52.7° | 56.9° |
| H331 | C33 | C34 | H342 | 56.7° | 63.0° |
| H332 | C33 | C34 | H341 | 56.7° | 62.9° |
| H332 | C33 | C34 | H342 | 166.2° | 177.2° |
| H351 | C35 | H352 | H353 | 109.5° | 120.0° |
