87J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C06 | doub | 1.39Å | 1.37Å | Aromatic |
| C21 | C20 | doub | 1.36Å | 1.37Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.37Å | Aromatic |
| C39 | C38 | doub | 1.39Å | 1.37Å | Aromatic |
| C39 | C30 | sing | 1.39Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.37Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C09 | doub | 1.38Å | 1.37Å | Aromatic |
| C38 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C41 | C18 | sing | 1.40Å | 1.38Å | Aromatic |
| C41 | C22 | doub | 1.36Å | 1.38Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | N32 | sing | 1.32Å | 1.34Å | Aromatic |
| C29 | C24 | doub | 1.35Å | 1.38Å | Aromatic |
| C29 | N28 | sing | 1.34Å | 1.37Å | Aromatic |
| C27 | N28 | doub | 1.30Å | 1.31Å | Aromatic |
| C27 | N25 | sing | 1.35Å | 1.36Å | Aromatic |
| C18 | C19 | doub | 1.42Å | 1.38Å | Aromatic |
| C18 | C16 | sing | 1.41Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.48Å | 1.44Å | |
| C05 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C03 | sing | 1.41Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.49Å | |
| C30 | C23 | sing | 1.51Å | 1.49Å | |
| C19 | N04 | sing | 1.34Å | 1.33Å | Aromatic |
| C09 | S10 | sing | 1.76Å | 1.77Å | |
| C16 | CL17 | sing | 1.74Å | 1.72Å | |
| C33 | C34 | sing | 1.51Å | 1.49Å | |
| C33 | N32 | doub | 1.32Å | 1.33Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.47Å | |
| C24 | N25 | sing | 1.37Å | 1.37Å | Aromatic |
| C03 | N04 | doub | 1.31Å | 1.33Å | Aromatic |
| C03 | O02 | sing | 1.35Å | 1.38Å | |
| C26 | N25 | sing | 1.47Å | 1.45Å | |
| C01 | O02 | sing | 1.43Å | 1.42Å | |
| C11 | S10 | sing | 1.81Å | 1.77Å | |
| C23 | O40 | sing | 1.43Å | 1.42Å | |
| C34 | F35 | sing | 1.40Å | 1.36Å | |
| C34 | F36 | sing | 1.40Å | 1.36Å | |
| C34 | F37 | sing | 1.40Å | 1.36Å | |
| O12 | S10 | doub | 1.42Å | 1.45Å | |
| O13 | S10 | doub | 1.42Å | 1.45Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| O40 | H401 | sing | 0.97Å | 0.95Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C07 | C06 | 120.0° | 119.9° |
| C07 | C08 | C09 | 119.2° | 120.1° |
| C08 | C07 | H071 | 120.0° | 120.1° |
| C07 | C08 | H081 | 120.4° | 119.9° |
| C07 | C06 | C15 | 119.9° | 119.8° |
| C07 | C06 | C05 | 121.9° | 120.1° |
| C06 | C07 | H071 | 120.0° | 120.1° |
| C14 | C15 | C06 | 120.6° | 119.9° |
| C15 | C14 | C09 | 118.8° | 120.1° |
| C14 | C15 | H151 | 119.7° | 120.1° |
| C15 | C14 | H141 | 120.6° | 119.9° |
| C15 | C06 | C05 | 118.2° | 120.1° |
| C06 | C15 | H151 | 119.7° | 120.1° |
| C20 | C21 | C22 | 120.1° | 121.0° |
| C21 | C20 | C19 | 121.0° | 119.9° |
| C20 | C21 | H211 | 119.9° | 119.5° |
| C21 | C20 | H201 | 119.5° | 120.0° |
| C21 | C22 | C41 | 119.4° | 120.8° |
| C21 | C22 | C23 | 118.9° | 119.6° |
| C22 | C21 | H211 | 120.0° | 119.5° |
| C38 | C39 | C30 | 119.5° | 118.4° |
| C39 | C38 | C33 | 118.7° | 119.2° |
| C38 | C39 | H391 | 120.2° | 120.8° |
| C39 | C38 | H381 | 120.7° | 120.4° |
| C39 | C30 | C31 | 117.7° | 119.2° |
| C39 | C30 | C23 | 120.6° | 120.4° |
| C30 | C39 | H391 | 120.2° | 120.8° |
| C20 | C19 | C18 | 118.9° | 119.0° |
| C20 | C19 | N04 | 118.4° | 120.8° |
| C19 | C20 | H201 | 119.5° | 120.1° |
| C08 | C09 | C14 | 121.5° | 120.2° |
| C08 | C09 | S10 | 119.5° | 119.9° |
| C09 | C08 | H081 | 120.4° | 119.9° |
| C14 | C09 | S10 | 119.0° | 119.9° |
| C09 | C14 | H141 | 120.6° | 119.9° |
| C38 | C33 | C34 | 118.8° | 119.6° |
| C38 | C33 | N32 | 123.0° | 120.8° |
| C33 | C38 | H381 | 120.6° | 120.4° |
| C18 | C41 | C22 | 120.1° | 119.6° |
| C41 | C18 | C19 | 120.4° | 119.7° |
| C41 | C18 | C16 | 122.2° | 121.2° |
| C18 | C41 | H411 | 119.9° | 120.2° |
| C41 | C22 | C23 | 121.7° | 119.5° |
| C22 | C41 | H411 | 120.0° | 120.2° |
| C30 | C31 | N32 | 124.1° | 120.7° |
| C31 | C30 | C23 | 121.7° | 120.4° |
| C30 | C31 | H311 | 117.9° | 119.7° |
| C31 | N32 | C33 | 116.9° | 121.8° |
| N32 | C31 | H311 | 118.0° | 119.6° |
| C24 | C29 | N28 | 111.6° | 108.0° |
| C29 | C24 | C23 | 132.5° | 126.6° |
| C29 | C24 | N25 | 104.1° | 106.7° |
| C24 | C29 | H291 | 124.2° | 126.0° |
| C29 | N28 | C27 | 104.6° | 109.3° |
| N28 | C29 | H291 | 124.2° | 126.0° |
| N28 | C27 | N25 | 111.7° | 108.7° |
| N28 | C27 | H271 | 124.1° | 125.7° |
| C27 | N25 | C24 | 108.1° | 107.3° |
| C27 | N25 | C26 | 125.4° | 126.4° |
| N25 | C27 | H271 | 124.1° | 125.6° |
| C19 | C18 | C16 | 117.4° | 119.2° |
| C18 | C19 | N04 | 122.7° | 120.2° |
| C18 | C16 | C05 | 121.3° | 118.1° |
| C18 | C16 | CL17 | 119.2° | 120.9° |
| C06 | C05 | C16 | 123.1° | 120.3° |
| C06 | C05 | C03 | 120.3° | 120.3° |
| C16 | C05 | C03 | 116.6° | 119.4° |
| C05 | C16 | CL17 | 119.5° | 121.0° |
| C05 | C03 | N04 | 123.6° | 121.5° |
| C05 | C03 | O02 | 118.0° | 119.3° |
| C22 | C23 | C30 | 110.1° | 109.4° |
| C22 | C23 | C24 | 112.4° | 109.5° |
| C22 | C23 | O40 | 108.5° | 109.5° |
| C30 | C23 | C24 | 111.2° | 109.5° |
| C30 | C23 | O40 | 108.1° | 109.5° |
| C19 | N04 | C03 | 118.4° | 121.6° |
| C09 | S10 | C11 | 102.7° | 104.4° |
| C09 | S10 | O12 | 106.5° | 104.3° |
| C09 | S10 | O13 | 107.2° | 104.2° |
| C34 | C33 | N32 | 118.1° | 119.6° |
| C33 | C34 | F35 | 112.8° | 109.5° |
| C33 | C34 | F36 | 112.5° | 109.5° |
| C33 | C34 | F37 | 113.1° | 109.5° |
| C23 | C24 | N25 | 123.5° | 126.6° |
| C24 | C23 | O40 | 106.3° | 109.5° |
| C24 | N25 | C26 | 126.6° | 126.3° |
| N04 | C03 | O02 | 118.4° | 119.3° |
| C03 | O02 | C01 | 107.8° | 117.0° |
| N25 | C26 | H263 | 109.5° | 109.5° |
| N25 | C26 | H262 | 109.5° | 109.5° |
| N25 | C26 | H261 | 109.5° | 109.4° |
| O02 | C01 | H011 | 109.5° | 109.4° |
| O02 | C01 | H012 | 109.5° | 109.4° |
| O02 | C01 | H013 | 109.5° | 109.4° |
| C11 | S10 | O12 | 108.3° | 110.6° |
| C11 | S10 | O13 | 108.3° | 110.5° |
| S10 | C11 | H3 | 109.5° | 109.5° |
| S10 | C11 | H4 | 109.5° | 109.5° |
| S10 | C11 | H5 | 109.4° | 109.5° |
| C23 | O40 | H401 | 109.5° | 114.0° |
| F35 | C34 | F36 | 105.8° | 109.5° |
| F35 | C34 | F37 | 105.9° | 109.5° |
| F36 | C34 | F37 | 106.2° | 109.4° |
| O12 | S10 | O13 | 122.1° | 121.1° |
| H263 | C26 | H262 | 109.5° | 109.5° |
| H263 | C26 | H261 | 109.5° | 109.5° |
| H262 | C26 | H261 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.4° |
| H3 | C11 | H5 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C07 | C06 | H071 | 180.0° | 179.7° |
| C08 | C07 | C06 | C15 | 0.0° | 0.0° |
| C07 | C08 | C09 | H081 | 180.0° | 180.0° |
| C07 | C08 | C09 | C14 | 0.1° | 0.0° |
| C08 | C07 | C06 | C05 | 179.5° | 180.0° |
| C07 | C08 | C09 | S10 | 179.8° | 180.0° |
| C07 | C06 | C15 | C14 | 0.0° | 0.1° |
| C07 | C06 | C15 | C05 | 179.6° | 179.9° |
| C06 | C07 | C08 | C09 | 0.0° | 0.0° |
| C07 | C06 | C05 | C16 | 112.6° | 115.0° |
| C07 | C06 | C05 | C03 | 68.7° | 65.0° |
| C07 | C06 | C15 | H151 | 180.0° | 179.9° |
| C06 | C07 | C08 | H081 | 179.9° | 180.0° |
| C14 | C15 | C06 | H151 | 180.0° | 179.8° |
| C15 | C14 | C09 | C08 | 0.1° | 0.1° |
| C15 | C14 | C09 | H141 | 180.0° | 179.9° |
| C14 | C15 | C06 | C05 | 179.5° | 180.0° |
| C15 | C14 | C09 | S10 | 179.8° | 179.9° |
| C06 | C15 | C14 | C09 | 0.0° | 0.1° |
| C15 | C06 | C05 | C16 | 67.8° | 65.1° |
| C15 | C06 | C05 | C03 | 110.8° | 115.0° |
| C15 | C06 | C07 | H071 | 180.0° | 179.7° |
| C06 | C15 | C14 | H141 | 180.0° | 180.0° |
| C20 | C21 | C22 | H211 | 180.0° | 179.7° |
| C21 | C20 | C19 | H201 | 180.0° | 180.0° |
| C20 | C21 | C22 | C41 | 0.1° | 0.0° |
| C21 | C20 | C19 | C18 | 0.3° | 0.0° |
| C20 | C21 | C22 | C23 | 179.7° | 180.0° |
| C21 | C20 | C19 | N04 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.2° | 0.0° |
| C21 | C22 | C41 | C18 | 0.2° | 0.0° |
| C21 | C22 | C41 | C23 | 179.6° | 179.9° |
| C21 | C22 | C23 | C30 | 58.8° | 50.9° |
| C21 | C22 | C23 | C24 | 65.8° | 69.1° |
| C21 | C22 | C23 | O40 | 177.0° | 170.9° |
| C22 | C21 | C20 | H201 | 179.8° | 180.0° |
| C21 | C22 | C41 | H411 | 179.7° | 180.0° |
| C38 | C39 | C30 | H391 | 180.0° | 179.7° |
| C39 | C38 | C33 | H381 | 180.0° | 180.0° |
| C38 | C39 | C30 | C31 | 0.0° | 0.0° |
| C38 | C39 | C30 | C23 | 179.9° | 180.0° |
| C39 | C38 | C33 | C34 | 180.0° | 180.0° |
| C39 | C38 | C33 | N32 | 0.0° | 0.0° |
| C30 | C39 | C38 | C33 | 0.0° | 0.0° |
| C39 | C30 | C31 | C23 | 179.9° | 180.0° |
| C39 | C30 | C31 | N32 | 0.0° | 0.0° |
| C39 | C30 | C23 | C22 | 90.7° | 90.0° |
| C39 | C30 | C23 | C24 | 34.6° | 150.0° |
| C39 | C30 | C23 | O40 | 151.0° | 30.0° |
| C30 | C39 | C38 | H381 | 179.9° | 180.0° |
| C39 | C30 | C31 | H311 | 180.0° | 180.0° |
| C20 | C19 | C18 | C41 | 0.4° | 0.0° |
| C20 | C19 | C18 | N04 | 179.7° | 180.0° |
| C20 | C19 | C18 | C16 | 179.9° | 180.0° |
| C20 | C19 | N04 | C03 | 179.8° | 180.0° |
| C19 | C20 | C21 | H211 | 179.8° | 179.8° |
| C08 | C09 | C14 | S10 | 179.9° | 180.0° |
| C08 | C09 | S10 | C11 | 76.0° | 90.0° |
| C08 | C09 | S10 | O12 | 170.3° | 153.9° |
| C08 | C09 | S10 | O13 | 38.0° | 26.0° |
| C09 | C08 | C07 | H071 | 179.9° | 179.7° |
| C08 | C09 | C14 | H141 | 179.9° | 179.9° |
| C14 | C09 | S10 | C11 | 104.1° | 90.0° |
| C14 | C09 | S10 | O12 | 9.7° | 26.1° |
| C14 | C09 | S10 | O13 | 141.9° | 153.9° |
| C09 | C14 | C15 | H151 | 180.0° | 179.9° |
| C14 | C09 | C08 | H081 | 179.9° | 180.0° |
| C38 | C33 | N32 | C31 | 0.0° | 0.0° |
| C38 | C33 | C34 | N32 | 180.0° | 180.0° |
| C38 | C33 | C34 | F35 | 47.2° | 90.0° |
| C38 | C33 | C34 | F36 | 72.4° | 150.0° |
| C38 | C33 | C34 | F37 | 167.3° | 30.0° |
| C33 | C38 | C39 | H391 | 179.9° | 179.7° |
| C18 | C41 | C22 | H411 | 180.0° | 180.0° |
| C41 | C18 | C19 | C16 | 179.4° | 179.9° |
| C41 | C18 | C16 | C05 | 179.6° | 180.0° |
| C18 | C41 | C22 | C23 | 179.8° | 180.0° |
| C41 | C18 | C19 | N04 | 179.9° | 180.0° |
| C41 | C18 | C16 | CL17 | 0.2° | 0.1° |
| C22 | C41 | C18 | C19 | 0.4° | 0.0° |
| C22 | C41 | C18 | C16 | 179.8° | 180.0° |
| C41 | C22 | C23 | C30 | 120.8° | 129.2° |
| C41 | C22 | C23 | C24 | 114.6° | 110.8° |
| C41 | C22 | C23 | O40 | 2.7° | 9.2° |
| C41 | C22 | C21 | H211 | 179.8° | 179.7° |
| C30 | C31 | N32 | H311 | 180.0° | 180.0° |
| C31 | C30 | C23 | C22 | 89.2° | 90.0° |
| C30 | C31 | N32 | C33 | 0.0° | 0.0° |
| C31 | C30 | C23 | C24 | 145.5° | 30.0° |
| C31 | C30 | C23 | O40 | 29.1° | 150.0° |
| C31 | C30 | C39 | H391 | 179.9° | 179.7° |
| N32 | C31 | C30 | C23 | 179.9° | 179.9° |
| C31 | N32 | C33 | C34 | 180.0° | 180.0° |
| C24 | C29 | N28 | H291 | 180.0° | 179.6° |
| C24 | C29 | N28 | C27 | 0.0° | 0.1° |
| C29 | C24 | N25 | C27 | 0.0° | 0.0° |
| C29 | C24 | C23 | C22 | 0.1° | 3.0° |
| C29 | C24 | C23 | C30 | 124.1° | 116.9° |
| C29 | C24 | C23 | N25 | 179.9° | 180.0° |
| C29 | C24 | N25 | C26 | 180.0° | 180.0° |
| C29 | C24 | C23 | O40 | 118.4° | 123.1° |
| C29 | N28 | C27 | N25 | 0.1° | 0.0° |
| N28 | C29 | C24 | C23 | 179.9° | 179.9° |
| N28 | C29 | C24 | N25 | 0.0° | 0.0° |
| C29 | N28 | C27 | H271 | 180.0° | 180.0° |
| N28 | C27 | N25 | H271 | 180.0° | 180.0° |
| N28 | C27 | N25 | C24 | 0.1° | 0.0° |
| N28 | C27 | N25 | C26 | 180.0° | 180.0° |
| C27 | N28 | C29 | H291 | 180.0° | 179.7° |
| C27 | N25 | C24 | C23 | 179.9° | 179.9° |
| C27 | N25 | C24 | C26 | 180.0° | 180.0° |
| C27 | N25 | C26 | H263 | 180.0° | 90.0° |
| C27 | N25 | C26 | H262 | 60.0° | 149.9° |
| C27 | N25 | C26 | H261 | 60.0° | 30.0° |
| C19 | C18 | C16 | C05 | 0.2° | 0.0° |
| C19 | C18 | C16 | CL17 | 179.7° | 180.0° |
| C18 | C19 | N04 | C03 | 0.5° | 0.0° |
| C18 | C19 | C20 | H201 | 179.7° | 180.0° |
| C19 | C18 | C41 | H411 | 179.6° | 180.0° |
| C18 | C16 | C05 | C06 | 178.7° | 180.0° |
| C18 | C16 | C05 | CL17 | 179.9° | 179.9° |
| C18 | C16 | C05 | C03 | 0.1° | 0.0° |
| C16 | C18 | C19 | N04 | 0.5° | 0.0° |
| C16 | C18 | C41 | H411 | 0.2° | 0.0° |
| C06 | C05 | C16 | C03 | 178.7° | 180.0° |
| C06 | C05 | C16 | CL17 | 1.1° | 0.1° |
| C06 | C05 | C03 | N04 | 178.9° | 180.0° |
| C06 | C05 | C03 | O02 | 1.7° | 0.0° |
| C05 | C06 | C07 | H071 | 0.5° | 0.3° |
| C05 | C06 | C15 | H151 | 0.5° | 0.2° |
| C16 | C05 | C03 | N04 | 0.2° | 0.0° |
| C16 | C05 | C03 | O02 | 179.6° | 180.0° |
| C05 | C03 | N04 | C19 | 0.4° | 0.0° |
| C03 | C05 | C16 | CL17 | 179.8° | 180.0° |
| C05 | C03 | N04 | O02 | 179.4° | 180.0° |
| C05 | C03 | O02 | C01 | 153.4° | 180.0° |
| C22 | C23 | C30 | C24 | 125.3° | 120.0° |
| C22 | C23 | C30 | O40 | 118.3° | 120.0° |
| C22 | C23 | C24 | O40 | 118.5° | 120.0° |
| C22 | C23 | C24 | N25 | 179.8° | 176.9° |
| C23 | C22 | C21 | H211 | 0.2° | 0.2° |
| C23 | C22 | C41 | H411 | 0.1° | 0.1° |
| C22 | C23 | O40 | H401 | 180.0° | 60.0° |
| C30 | C23 | C24 | O40 | 117.5° | 120.0° |
| C30 | C23 | C24 | N25 | 55.8° | 63.1° |
| C23 | C30 | C39 | H391 | 0.0° | 0.3° |
| C23 | C30 | C31 | H311 | 0.1° | 0.0° |
| C30 | C23 | O40 | H401 | 60.6° | 59.9° |
| C19 | N04 | C03 | O02 | 179.8° | 180.0° |
| N04 | C19 | C20 | H201 | 0.0° | 0.0° |
| C09 | S10 | C11 | O12 | 112.4° | 111.7° |
| C09 | S10 | C11 | O13 | 113.1° | 111.6° |
| C09 | S10 | O12 | O13 | 123.3° | 116.7° |
| S10 | C09 | C08 | H081 | 0.2° | 0.0° |
| S10 | C09 | C14 | H141 | 0.2° | 0.1° |
| C09 | S10 | C11 | H3 | 180.0° | 60.1° |
| C09 | S10 | C11 | H4 | 60.0° | 180.0° |
| C09 | S10 | C11 | H5 | 60.0° | 60.0° |
| C33 | C34 | F35 | F36 | 123.3° | 120.0° |
| C33 | C34 | F35 | F37 | 124.2° | 120.1° |
| C33 | C34 | F36 | F37 | 124.2° | 120.0° |
| C34 | C33 | C38 | H381 | 0.1° | 0.0° |
| N32 | C33 | C34 | F35 | 132.8° | 90.0° |
| N32 | C33 | C34 | F36 | 107.6° | 30.0° |
| N32 | C33 | C34 | F37 | 12.7° | 150.0° |
| N32 | C33 | C38 | H381 | 180.0° | 180.0° |
| C33 | N32 | C31 | H311 | 180.0° | 180.0° |
| C23 | C24 | N25 | C26 | 0.1° | 0.0° |
| C23 | C24 | C29 | H291 | 0.1° | 0.3° |
| C24 | C23 | O40 | H401 | 58.9° | 179.9° |
| N25 | C24 | C23 | O40 | 61.7° | 56.9° |
| N25 | C24 | C29 | H291 | 180.0° | 179.7° |
| C24 | N25 | C27 | H271 | 180.0° | 180.0° |
| C24 | N25 | C26 | H263 | 0.0° | 90.0° |
| C24 | N25 | C26 | H262 | 120.0° | 30.0° |
| C24 | N25 | C26 | H261 | 120.0° | 150.0° |
| N04 | C03 | O02 | C01 | 27.2° | 0.0° |
| C03 | O02 | C01 | H011 | 180.0° | 180.0° |
| C03 | O02 | C01 | H012 | 60.0° | 60.0° |
| C03 | O02 | C01 | H013 | 60.0° | 60.0° |
| C26 | N25 | C27 | H271 | 0.0° | 0.0° |
| N25 | C26 | H263 | H262 | 120.0° | 120.0° |
| N25 | C26 | H263 | H261 | 120.0° | 120.0° |
| N25 | C26 | H262 | H261 | 120.0° | 120.0° |
| O02 | C01 | H011 | H012 | 120.0° | 119.9° |
| O02 | C01 | H011 | H013 | 120.0° | 120.0° |
| O02 | C01 | H012 | H013 | 120.0° | 119.9° |
| C11 | S10 | O12 | O13 | 126.8° | 131.5° |
| S10 | C11 | H3 | H4 | 120.0° | 120.0° |
| S10 | C11 | H3 | H5 | 120.0° | 120.1° |
| S10 | C11 | H4 | H5 | 119.9° | 120.0° |
| F35 | C34 | F36 | F37 | 112.2° | 120.0° |
| O12 | S10 | C11 | H3 | 67.6° | 51.6° |
| O12 | S10 | C11 | H4 | 172.4° | 68.4° |
| O12 | S10 | C11 | H5 | 52.4° | 171.7° |
| O13 | S10 | C11 | H3 | 66.9° | 171.7° |
| O13 | S10 | C11 | H4 | 53.2° | 68.4° |
| O13 | S10 | C11 | H5 | 173.1° | 51.6° |
| H071 | C07 | C08 | H081 | 0.1° | 0.3° |
| H151 | C15 | C14 | H141 | 0.0° | 0.2° |
| H211 | C21 | C20 | H201 | 0.2° | 0.3° |
| H391 | C39 | C38 | H381 | 0.1° | 0.3° |
| H263 | C26 | H262 | H261 | 120.0° | 120.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.1° |
| H3 | C11 | H4 | H5 | 120.0° | 120.0° |
