189
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C4 | S10 | sing | 1.76Å | 1.79Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| S10 | O15 | doub | 1.42Å | 1.48Å | |
| S10 | O14 | doub | 1.42Å | 1.46Å | |
| S10 | N13 | sing | 1.66Å | 1.60Å | |
| N13 | C20 | sing | 1.46Å | 1.47Å | |
| N13 | C19 | sing | 1.46Å | 1.46Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | C25 | sing | 1.55Å | 1.55Å | |
| C21 | C22 | sing | 1.54Å | 1.55Å | |
| C21 | H21 | sing | 1.09Å | 1.12Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.55Å | 1.54Å | |
| C25 | H25 | sing | 1.09Å | 1.12Å | |
| C26 | N27 | sing | 1.46Å | 1.46Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| N27 | C35 | sing | 1.35Å | 1.28Å | |
| N27 | C28 | sing | 1.47Å | 1.44Å | |
| C35 | O46 | doub | 1.21Å | 1.24Å | |
| C35 | C36 | sing | 1.51Å | 1.52Å | |
| C36 | O37 | sing | 1.43Å | 1.43Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| O37 | C38 | sing | 1.36Å | 1.38Å | |
| C38 | C43 | doub | 1.39Å | 1.41Å | Aromatic |
| C38 | C39 | sing | 1.39Å | 1.39Å | Aromatic |
| C43 | C45 | sing | 1.51Å | 1.53Å | |
| C43 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | H451 | sing | 1.09Å | 1.12Å | |
| C45 | H452 | sing | 1.09Å | 1.12Å | |
| C45 | H453 | sing | 1.09Å | 1.12Å | |
| C42 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.10Å | |
| C41 | C40 | sing | 1.38Å | 1.40Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.10Å | |
| C40 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.10Å | |
| C39 | C44 | sing | 1.51Å | 1.53Å | |
| C44 | H441 | sing | 1.09Å | 1.12Å | |
| C44 | H442 | sing | 1.09Å | 1.11Å | |
| C44 | H443 | sing | 1.09Å | 1.12Å | |
| C24 | N23 | sing | 1.49Å | 1.48Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| N23 | C22 | sing | 1.48Å | 1.47Å | |
| N23 | H23 | sing | 1.01Å | 1.02Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H163 | sing | 1.09Å | 1.11Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | H17 | sing | 1.09Å | 1.12Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C18 | H183 | sing | 1.09Å | 1.12Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C29 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C33 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C32 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C31 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 120.4° | 120.0° |
| C6 | C1 | H1 | 119.9° | 120.0° |
| C1 | C6 | C5 | 119.8° | 120.0° |
| C1 | C6 | H6 | 120.1° | 120.0° |
| C2 | C1 | H1 | 119.7° | 120.0° |
| C1 | C2 | C3 | 120.1° | 120.0° |
| C1 | C2 | H2 | 119.8° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C6 | C5 | C4 | 119.4° | 120.0° |
| C6 | C5 | H5 | 120.2° | 120.0° |
| C4 | C5 | H5 | 120.4° | 120.0° |
| C5 | C4 | S10 | 119.4° | 120.0° |
| C5 | C4 | C3 | 121.2° | 120.0° |
| S10 | C4 | C3 | 119.4° | 120.0° |
| C4 | S10 | O15 | 102.3° | 105.8° |
| C4 | S10 | O14 | 101.7° | 105.8° |
| C4 | S10 | N13 | 115.5° | 107.4° |
| C4 | C3 | C2 | 119.0° | 120.0° |
| C4 | C3 | H3 | 120.3° | 120.0° |
| O15 | S10 | O14 | 115.8° | 125.4° |
| O15 | S10 | N13 | 112.4° | 105.7° |
| O14 | S10 | N13 | 108.8° | 105.8° |
| S10 | N13 | C20 | 121.1° | 120.0° |
| S10 | N13 | C19 | 117.9° | 120.0° |
| C20 | N13 | C19 | 113.3° | 120.0° |
| N13 | C20 | C21 | 108.4° | 109.5° |
| N13 | C20 | H201 | 112.6° | 109.5° |
| N13 | C20 | H202 | 112.6° | 109.5° |
| N13 | C19 | C17 | 110.4° | 109.5° |
| N13 | C19 | H191 | 111.8° | 109.5° |
| N13 | C19 | H192 | 111.9° | 109.5° |
| C21 | C20 | H201 | 112.6° | 109.5° |
| C21 | C20 | H202 | 112.6° | 109.5° |
| C20 | C21 | C25 | 106.9° | 110.3° |
| C20 | C21 | C22 | 108.0° | 110.3° |
| C20 | C21 | H21 | 110.1° | 110.3° |
| H201 | C20 | H202 | 97.9° | 109.4° |
| C25 | C21 | C22 | 102.8° | 105.2° |
| C25 | C21 | H21 | 114.8° | 110.3° |
| C21 | C25 | C26 | 108.8° | 111.0° |
| C21 | C25 | C24 | 101.1° | 102.9° |
| C21 | C25 | H25 | 115.2° | 110.7° |
| C22 | C21 | H21 | 113.8° | 110.3° |
| C21 | C22 | N23 | 106.7° | 107.1° |
| C21 | C22 | H221 | 113.2° | 110.0° |
| C21 | C22 | H222 | 113.2° | 109.9° |
| C26 | C25 | C24 | 109.6° | 110.7° |
| C26 | C25 | H25 | 107.5° | 110.7° |
| C25 | C26 | N27 | 111.1° | 109.5° |
| C25 | C26 | H261 | 111.6° | 109.5° |
| C25 | C26 | H262 | 111.6° | 109.5° |
| C24 | C25 | H25 | 114.5° | 110.7° |
| C25 | C24 | N23 | 104.7° | 103.3° |
| C25 | C24 | H241 | 114.0° | 110.6° |
| C25 | C24 | H242 | 114.0° | 110.7° |
| N27 | C26 | H261 | 111.6° | 109.4° |
| N27 | C26 | H262 | 111.6° | 109.5° |
| C26 | N27 | C35 | 116.0° | 119.9° |
| C26 | N27 | C28 | 124.7° | 120.0° |
| H261 | C26 | H262 | 98.8° | 109.4° |
| C35 | N27 | C28 | 119.3° | 120.0° |
| N27 | C35 | O46 | 121.3° | 120.0° |
| N27 | C35 | C36 | 125.7° | 120.0° |
| N27 | C28 | C29 | 113.0° | 109.5° |
| N27 | C28 | H281 | 110.9° | 109.5° |
| N27 | C28 | H282 | 110.9° | 109.4° |
| O46 | C35 | C36 | 112.8° | 120.0° |
| C35 | C36 | O37 | 106.4° | 109.5° |
| C35 | C36 | H361 | 113.4° | 109.5° |
| C35 | C36 | H362 | 113.4° | 109.5° |
| O37 | C36 | H361 | 113.4° | 109.5° |
| O37 | C36 | H362 | 113.4° | 109.5° |
| C36 | O37 | C38 | 118.9° | 106.8° |
| H361 | C36 | H362 | 97.1° | 109.4° |
| O37 | C38 | C43 | 117.2° | 120.1° |
| O37 | C38 | C39 | 124.5° | 120.1° |
| C43 | C38 | C39 | 118.4° | 119.9° |
| C38 | C43 | C45 | 120.2° | 120.0° |
| C38 | C43 | C42 | 119.6° | 120.0° |
| C38 | C39 | C40 | 121.4° | 119.9° |
| C38 | C39 | C44 | 122.0° | 120.0° |
| C45 | C43 | C42 | 119.8° | 120.0° |
| C43 | C45 | H451 | 108.4° | 109.5° |
| C43 | C45 | H452 | 120.2° | 109.5° |
| C43 | C45 | H453 | 108.4° | 109.5° |
| C43 | C42 | C41 | 120.6° | 120.0° |
| C43 | C42 | H42 | 119.5° | 120.0° |
| H451 | C45 | H452 | 108.4° | 109.5° |
| H451 | C45 | H453 | 101.6° | 109.4° |
| H452 | C45 | H453 | 108.4° | 109.5° |
| C41 | C42 | H42 | 119.9° | 120.0° |
| C42 | C41 | C40 | 119.0° | 120.1° |
| C42 | C41 | H41 | 120.5° | 119.9° |
| C40 | C41 | H41 | 120.5° | 120.0° |
| C41 | C40 | C39 | 119.4° | 120.1° |
| C41 | C40 | H40 | 120.0° | 119.9° |
| C39 | C40 | H40 | 120.6° | 120.0° |
| C40 | C39 | C44 | 116.6° | 120.1° |
| C39 | C44 | H441 | 107.7° | 109.5° |
| C39 | C44 | H442 | 122.0° | 109.5° |
| C39 | C44 | H443 | 107.7° | 109.5° |
| H441 | C44 | H442 | 107.8° | 109.5° |
| H441 | C44 | H443 | 102.1° | 109.5° |
| H442 | C44 | H443 | 107.7° | 109.5° |
| N23 | C24 | H241 | 114.0° | 110.6° |
| N23 | C24 | H242 | 114.0° | 110.6° |
| C24 | N23 | C22 | 108.5° | 105.8° |
| C24 | N23 | H23 | 112.6° | 106.7° |
| H241 | C24 | H242 | 96.5° | 110.8° |
| C22 | N23 | H23 | 112.6° | 106.7° |
| N23 | C22 | H221 | 113.2° | 109.9° |
| N23 | C22 | H222 | 113.3° | 109.9° |
| H221 | C22 | H222 | 97.2° | 110.1° |
| C2 | C3 | H3 | 120.7° | 120.0° |
| C3 | C2 | H2 | 120.1° | 120.0° |
| C17 | C16 | H161 | 111.3° | 109.5° |
| C17 | C16 | H162 | 111.9° | 109.5° |
| C17 | C16 | H163 | 111.3° | 109.4° |
| C16 | C17 | C19 | 111.9° | 109.5° |
| C16 | C17 | C18 | 109.3° | 109.5° |
| C16 | C17 | H17 | 108.4° | 109.4° |
| H161 | C16 | H162 | 111.3° | 109.5° |
| H161 | C16 | H163 | 99.1° | 109.5° |
| H162 | C16 | H163 | 111.3° | 109.4° |
| C19 | C17 | C18 | 110.8° | 109.5° |
| C19 | C17 | H17 | 106.8° | 109.4° |
| C17 | C19 | H191 | 111.9° | 109.5° |
| C17 | C19 | H192 | 111.8° | 109.5° |
| C18 | C17 | H17 | 109.6° | 109.5° |
| C17 | C18 | H181 | 112.3° | 109.4° |
| C17 | C18 | H182 | 109.2° | 109.5° |
| C17 | C18 | H183 | 112.3° | 109.5° |
| H191 | C19 | H192 | 98.5° | 109.5° |
| H181 | C18 | H182 | 112.3° | 109.5° |
| H181 | C18 | H183 | 98.1° | 109.5° |
| H182 | C18 | H183 | 112.3° | 109.5° |
| C29 | C28 | H281 | 110.9° | 109.5° |
| C29 | C28 | H282 | 110.9° | 109.5° |
| C28 | C29 | C34 | 119.1° | 120.0° |
| C28 | C29 | C30 | 120.8° | 120.0° |
| H281 | C28 | H282 | 99.4° | 109.5° |
| C34 | C29 | C30 | 120.0° | 120.0° |
| C29 | C34 | C33 | 120.8° | 120.0° |
| C29 | C34 | H34 | 119.6° | 120.0° |
| C29 | C30 | C31 | 119.2° | 120.0° |
| C29 | C30 | H30 | 120.2° | 120.0° |
| C33 | C34 | H34 | 119.6° | 120.0° |
| C34 | C33 | C32 | 119.1° | 120.0° |
| C34 | C33 | H33 | 120.5° | 120.0° |
| C32 | C33 | H33 | 120.5° | 120.0° |
| C33 | C32 | C31 | 120.0° | 120.0° |
| C33 | C32 | H32 | 120.0° | 120.0° |
| C31 | C32 | H32 | 120.0° | 120.0° |
| C32 | C31 | C30 | 120.8° | 120.0° |
| C32 | C31 | H31 | 119.5° | 120.0° |
| C30 | C31 | H31 | 119.7° | 120.0° |
| C31 | C30 | H30 | 120.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 1.4° | 0.0° |
| C1 | C6 | C5 | H5 | 178.6° | 180.0° |
| C6 | C1 | C2 | C3 | 1.2° | 0.2° |
| C6 | C1 | C2 | H2 | 178.8° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C2 | C1 | C6 | H6 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 1.4° | 0.4° |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C1 | C2 | C3 | H3 | 178.6° | 180.0° |
| H1 | C1 | C6 | C5 | 179.8° | 179.9° |
| H1 | C1 | C6 | H6 | 0.2° | 0.0° |
| H1 | C1 | C2 | C3 | 178.8° | 179.8° |
| H1 | C1 | C2 | H2 | 1.2° | 0.1° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | S10 | 179.3° | 180.0° |
| C6 | C5 | C4 | C3 | 1.2° | 0.2° |
| H6 | C6 | C5 | C4 | 178.6° | 180.0° |
| H6 | C6 | C5 | H5 | 1.4° | 0.1° |
| C5 | C4 | S10 | C3 | 179.5° | 179.8° |
| C5 | C4 | S10 | O15 | 16.4° | 157.5° |
| C5 | C4 | S10 | O14 | 136.4° | 22.6° |
| C5 | C4 | S10 | N13 | 106.0° | 90.0° |
| C5 | C4 | C3 | C2 | 0.3° | 0.4° |
| C5 | C4 | C3 | H3 | 179.7° | 180.0° |
| H5 | C5 | C4 | S10 | 0.7° | 0.0° |
| H5 | C5 | C4 | C3 | 178.9° | 179.8° |
| C4 | S10 | O15 | O14 | 109.6° | 123.2° |
| C4 | S10 | O15 | N13 | 124.5° | 113.7° |
| C4 | S10 | O14 | N13 | 122.4° | 113.8° |
| C4 | S10 | N13 | C20 | 50.8° | 86.0° |
| C4 | S10 | N13 | C19 | 96.5° | 93.9° |
| S10 | C4 | C3 | C2 | 179.3° | 179.8° |
| S10 | C4 | C3 | H3 | 0.7° | 0.2° |
| C3 | C4 | S10 | O15 | 163.1° | 22.3° |
| C3 | C4 | S10 | O14 | 43.1° | 157.2° |
| C3 | C4 | S10 | N13 | 74.5° | 90.2° |
| C4 | C3 | C2 | H3 | 180.0° | 179.6° |
| C4 | C3 | C2 | H2 | 178.6° | 179.8° |
| O15 | S10 | O14 | N13 | 127.7° | 123.1° |
| O15 | S10 | N13 | C20 | 66.0° | 161.4° |
| O15 | S10 | N13 | C19 | 146.6° | 18.6° |
| O14 | S10 | N13 | C20 | 164.4° | 26.7° |
| O14 | S10 | N13 | C19 | 17.0° | 153.4° |
| S10 | N13 | C20 | C19 | 148.7° | 179.9° |
| S10 | N13 | C20 | C21 | 67.6° | 91.4° |
| S10 | N13 | C20 | H201 | 167.1° | 148.6° |
| S10 | N13 | C20 | H202 | 57.6° | 28.6° |
| S10 | N13 | C19 | C17 | 123.2° | 92.3° |
| S10 | N13 | C19 | H191 | 2.1° | 27.7° |
| S10 | N13 | C19 | H192 | 111.6° | 147.7° |
| N13 | C20 | C21 | H201 | 125.3° | 120.1° |
| N13 | C20 | C21 | H202 | 125.2° | 120.0° |
| N13 | C20 | H201 | H202 | 118.5° | 120.0° |
| N13 | C20 | C21 | C25 | 72.7° | 176.5° |
| N13 | C20 | C21 | C22 | 177.4° | 67.6° |
| N13 | C20 | C21 | H21 | 52.6° | 54.4° |
| C20 | N13 | C19 | C17 | 87.0° | 87.7° |
| C20 | N13 | C19 | H191 | 147.7° | 152.3° |
| C20 | N13 | C19 | H192 | 38.2° | 32.3° |
| C19 | N13 | C20 | C21 | 143.6° | 88.5° |
| C19 | N13 | C20 | H201 | 18.4° | 31.5° |
| C19 | N13 | C20 | H202 | 91.1° | 151.4° |
| N13 | C19 | C17 | C16 | 61.5° | 65.9° |
| N13 | C19 | C17 | H191 | 125.2° | 120.0° |
| N13 | C19 | C17 | H192 | 125.3° | 120.0° |
| N13 | C19 | C17 | C18 | 176.3° | 174.1° |
| N13 | C19 | C17 | H17 | 57.0° | 54.1° |
| N13 | C19 | H191 | H192 | 117.8° | 120.0° |
| C21 | C20 | H201 | H202 | 118.5° | 120.0° |
| C20 | C21 | C25 | C22 | 113.6° | 119.0° |
| C20 | C21 | C25 | H21 | 122.4° | 122.1° |
| C20 | C21 | C22 | H21 | 122.6° | 122.0° |
| C20 | C21 | C25 | C26 | 168.7° | 100.8° |
| C20 | C21 | C25 | C24 | 76.0° | 140.8° |
| C20 | C21 | C25 | H25 | 48.0° | 22.6° |
| C20 | C21 | C22 | N23 | 88.8° | 117.7° |
| C20 | C21 | C22 | H221 | 36.4° | 122.9° |
| C20 | C21 | C22 | H222 | 145.9° | 1.6° |
| H201 | C20 | C21 | C25 | 52.6° | 63.4° |
| H201 | C20 | C21 | C22 | 57.3° | 52.4° |
| H201 | C20 | C21 | H21 | 177.9° | 174.5° |
| H202 | C20 | C21 | C25 | 162.1° | 56.5° |
| H202 | C20 | C21 | C22 | 52.1° | 172.3° |
| H202 | C20 | C21 | H21 | 72.6° | 65.6° |
| C25 | C21 | C22 | H21 | 124.7° | 119.0° |
| C21 | C25 | C26 | C24 | 109.7° | 113.6° |
| C21 | C25 | C26 | H25 | 125.4° | 123.3° |
| C21 | C25 | C24 | H25 | 124.5° | 118.3° |
| C21 | C25 | C26 | N27 | 70.1° | 179.9° |
| C21 | C25 | C26 | H261 | 164.6° | 60.0° |
| C21 | C25 | C26 | H262 | 55.2° | 60.0° |
| C21 | C25 | C24 | N23 | 38.5° | 37.3° |
| C21 | C25 | C24 | H241 | 163.8° | 81.1° |
| C21 | C25 | C24 | H242 | 86.8° | 155.7° |
| C25 | C21 | C22 | N23 | 23.9° | 1.3° |
| C25 | C21 | C22 | H221 | 149.2° | 118.1° |
| C25 | C21 | C22 | H222 | 101.4° | 120.6° |
| C22 | C21 | C25 | C26 | 77.7° | 140.2° |
| C22 | C21 | C25 | C24 | 37.6° | 21.8° |
| C22 | C21 | C25 | H25 | 161.6° | 96.4° |
| C21 | C22 | N23 | C24 | 0.1° | 25.4° |
| C21 | C22 | N23 | H221 | 125.2° | 119.4° |
| C21 | C22 | N23 | H222 | 125.3° | 119.3° |
| C21 | C22 | N23 | H23 | 125.1° | 138.7° |
| C21 | C22 | H221 | H222 | 119.2° | 121.2° |
| H21 | C21 | C25 | C26 | 46.3° | 21.3° |
| H21 | C21 | C25 | C24 | 161.6° | 97.1° |
| H21 | C21 | C25 | H25 | 74.4° | 144.6° |
| H21 | C21 | C22 | N23 | 148.6° | 120.3° |
| H21 | C21 | C22 | H221 | 86.1° | 0.9° |
| H21 | C21 | C22 | H222 | 23.3° | 120.4° |
| C26 | C25 | C24 | H25 | 120.8° | 123.1° |
| C25 | C26 | N27 | H261 | 125.3° | 120.0° |
| C25 | C26 | N27 | H262 | 125.2° | 120.1° |
| C25 | C26 | H261 | H262 | 117.5° | 120.0° |
| C25 | C26 | N27 | C35 | 104.4° | 90.0° |
| C25 | C26 | N27 | C28 | 72.5° | 90.0° |
| C26 | C25 | C24 | N23 | 76.2° | 156.0° |
| C26 | C25 | C24 | H241 | 49.1° | 37.6° |
| C26 | C25 | C24 | H242 | 158.6° | 85.7° |
| C24 | C25 | C26 | N27 | 179.8° | 66.5° |
| C24 | C25 | C26 | H261 | 54.9° | 173.6° |
| C24 | C25 | C26 | H262 | 54.5° | 53.6° |
| C25 | C24 | N23 | H241 | 125.3° | 118.4° |
| C25 | C24 | N23 | H242 | 125.3° | 118.5° |
| C25 | C24 | H241 | H242 | 119.9° | 123.2° |
| C25 | C24 | N23 | C22 | 24.6° | 39.2° |
| C25 | C24 | N23 | H23 | 100.7° | 152.5° |
| H25 | C25 | C26 | N27 | 55.3° | 56.6° |
| H25 | C25 | C26 | H261 | 70.0° | 63.3° |
| H25 | C25 | C26 | H262 | 179.5° | 176.7° |
| H25 | C25 | C24 | N23 | 163.0° | 81.0° |
| H25 | C25 | C24 | H241 | 71.7° | 160.6° |
| H25 | C25 | C24 | H242 | 37.7° | 37.4° |
| N27 | C26 | H261 | H262 | 117.5° | 120.0° |
| C26 | N27 | C35 | C28 | 177.1° | 180.0° |
| C26 | N27 | C35 | O46 | 14.9° | 0.7° |
| C26 | N27 | C35 | C36 | 159.9° | 179.2° |
| C26 | N27 | C28 | C29 | 114.8° | 83.8° |
| C26 | N27 | C28 | H281 | 120.0° | 156.2° |
| C26 | N27 | C28 | H282 | 10.5° | 36.2° |
| H261 | C26 | N27 | C35 | 130.3° | 150.0° |
| H261 | C26 | N27 | C28 | 52.8° | 30.0° |
| H262 | C26 | N27 | C35 | 20.8° | 30.1° |
| H262 | C26 | N27 | C28 | 162.3° | 149.9° |
| N27 | C35 | O46 | C36 | 175.4° | 180.0° |
| N27 | C35 | C36 | O37 | 162.4° | 174.5° |
| N27 | C35 | C36 | H361 | 72.3° | 54.5° |
| N27 | C35 | C36 | H362 | 37.1° | 65.5° |
| C35 | N27 | C28 | C29 | 68.4° | 96.2° |
| C35 | N27 | C28 | H281 | 56.8° | 23.8° |
| C35 | N27 | C28 | H282 | 166.3° | 143.8° |
| C28 | N27 | C35 | O46 | 168.0° | 179.3° |
| C28 | N27 | C35 | C36 | 17.2° | 0.7° |
| N27 | C28 | C29 | H281 | 125.3° | 120.0° |
| N27 | C28 | C29 | H282 | 125.3° | 119.9° |
| N27 | C28 | H281 | H282 | 116.8° | 119.9° |
| N27 | C28 | C29 | C34 | 150.8° | 96.2° |
| N27 | C28 | C29 | C30 | 30.0° | 84.1° |
| O46 | C35 | C36 | O37 | 22.4° | 5.5° |
| O46 | C35 | C36 | H361 | 102.9° | 125.5° |
| O46 | C35 | C36 | H362 | 147.7° | 114.5° |
| C35 | C36 | O37 | H361 | 125.3° | 120.0° |
| C35 | C36 | O37 | H362 | 125.3° | 120.1° |
| C35 | C36 | H361 | H362 | 119.3° | 120.1° |
| C35 | C36 | O37 | C38 | 150.3° | 180.0° |
| O37 | C36 | H361 | H362 | 119.3° | 120.0° |
| C36 | O37 | C38 | C43 | 107.8° | 90.0° |
| C36 | O37 | C38 | C39 | 71.4° | 90.3° |
| H361 | C36 | O37 | C38 | 84.5° | 60.0° |
| H362 | C36 | O37 | C38 | 25.0° | 60.0° |
| O37 | C38 | C43 | C39 | 179.2° | 179.7° |
| O37 | C38 | C43 | C45 | 0.3° | 0.0° |
| O37 | C38 | C43 | C42 | 172.8° | 180.0° |
| O37 | C38 | C39 | C40 | 176.8° | 179.7° |
| O37 | C38 | C39 | C44 | 2.1° | 0.3° |
| C38 | C43 | C45 | C42 | 172.4° | 180.0° |
| C38 | C43 | C45 | H451 | 54.7° | 90.0° |
| C38 | C43 | C45 | H452 | 180.0° | 150.0° |
| C38 | C43 | C45 | H453 | 54.7° | 29.9° |
| C38 | C43 | C42 | C41 | 15.9° | 0.0° |
| C38 | C43 | C42 | H42 | 164.1° | 179.9° |
| C43 | C38 | C39 | C40 | 2.3° | 0.6° |
| C43 | C38 | C39 | C44 | 178.7° | 180.0° |
| C39 | C38 | C43 | C45 | 179.5° | 179.7° |
| C39 | C38 | C43 | C42 | 8.1° | 0.3° |
| C38 | C39 | C40 | C41 | 5.0° | 0.6° |
| C38 | C39 | C40 | C44 | 179.0° | 179.4° |
| C38 | C39 | C40 | H40 | 175.0° | 179.7° |
| C38 | C39 | C44 | H441 | 54.7° | 90.6° |
| C38 | C39 | C44 | H442 | 180.0° | 29.4° |
| C38 | C39 | C44 | H443 | 54.7° | 149.4° |
| C43 | C45 | H451 | H452 | 131.9° | 120.0° |
| C43 | C45 | H451 | H453 | 114.0° | 119.9° |
| C43 | C45 | H452 | H453 | 125.3° | 120.0° |
| C45 | C43 | C42 | C41 | 171.6° | 180.0° |
| C45 | C43 | C42 | H42 | 8.4° | 0.1° |
| C42 | C43 | C45 | H451 | 117.7° | 90.0° |
| C42 | C43 | C45 | H452 | 7.6° | 30.0° |
| C42 | C43 | C45 | H453 | 132.9° | 150.1° |
| C43 | C42 | C41 | H42 | 180.0° | 179.9° |
| C43 | C42 | C41 | C40 | 13.1° | 0.0° |
| C43 | C42 | C41 | H41 | 166.8° | 180.0° |
| H451 | C45 | H452 | H453 | 109.5° | 120.0° |
| C42 | C41 | C40 | H41 | 180.0° | 180.0° |
| C42 | C41 | C40 | C39 | 2.7° | 0.3° |
| C42 | C41 | C40 | H40 | 177.3° | 180.0° |
| H42 | C42 | C41 | C40 | 166.9° | 179.9° |
| H42 | C42 | C41 | H41 | 13.2° | 0.1° |
| C41 | C40 | C39 | H40 | 180.0° | 179.7° |
| C41 | C40 | C39 | C44 | 176.0° | 180.0° |
| H41 | C41 | C40 | C39 | 177.3° | 179.7° |
| H41 | C41 | C40 | H40 | 2.7° | 0.0° |
| C40 | C39 | C44 | H441 | 124.3° | 90.0° |
| C40 | C39 | C44 | H442 | 1.0° | 150.0° |
| C40 | C39 | C44 | H443 | 126.3° | 30.0° |
| H40 | C40 | C39 | C44 | 4.0° | 0.3° |
| C39 | C44 | H441 | H442 | 133.4° | 120.0° |
| C39 | C44 | H441 | H443 | 113.3° | 120.0° |
| C39 | C44 | H442 | H443 | 125.3° | 120.0° |
| H441 | C44 | H442 | H443 | 109.5° | 120.0° |
| N23 | C24 | H241 | H242 | 119.9° | 123.0° |
| C24 | N23 | C22 | H23 | 125.3° | 113.3° |
| C24 | N23 | C22 | H221 | 125.1° | 94.0° |
| C24 | N23 | C22 | H222 | 125.4° | 144.7° |
| H241 | C24 | N23 | C22 | 149.9° | 79.2° |
| H241 | C24 | N23 | H23 | 24.6° | 34.1° |
| H242 | C24 | N23 | C22 | 100.7° | 157.6° |
| H242 | C24 | N23 | H23 | 134.0° | 89.0° |
| N23 | C22 | H221 | H222 | 119.2° | 121.1° |
| H23 | N23 | C22 | H221 | 109.6° | 19.3° |
| H23 | N23 | C22 | H222 | 0.2° | 102.0° |
| H3 | C3 | C2 | H2 | 1.4° | 0.2° |
| C17 | C16 | H161 | H162 | 125.6° | 120.1° |
| C17 | C16 | H161 | H163 | 117.2° | 120.0° |
| C17 | C16 | H162 | H163 | 125.3° | 119.9° |
| C16 | C17 | C19 | C18 | 122.2° | 120.1° |
| C16 | C17 | C19 | H17 | 118.5° | 120.0° |
| C16 | C17 | C18 | H17 | 118.6° | 120.0° |
| C16 | C17 | C19 | H191 | 63.8° | 174.1° |
| C16 | C17 | C19 | H192 | 173.3° | 54.1° |
| C16 | C17 | C18 | H181 | 54.7° | 60.0° |
| C16 | C17 | C18 | H182 | 180.0° | 179.9° |
| C16 | C17 | C18 | H183 | 54.7° | 59.9° |
| H161 | C16 | H162 | H163 | 109.5° | 120.0° |
| H161 | C16 | C17 | C19 | 54.7° | 173.0° |
| H161 | C16 | C17 | C18 | 177.8° | 53.0° |
| H161 | C16 | C17 | H17 | 62.8° | 67.0° |
| H162 | C16 | C17 | C19 | 180.0° | 66.9° |
| H162 | C16 | C17 | C18 | 57.0° | 173.1° |
| H162 | C16 | C17 | H17 | 62.5° | 53.1° |
| H163 | C16 | C17 | C19 | 54.7° | 53.1° |
| H163 | C16 | C17 | C18 | 68.3° | 67.0° |
| H163 | C16 | C17 | H17 | 172.3° | 173.0° |
| C19 | C17 | C18 | H17 | 117.6° | 120.0° |
| C17 | C19 | H191 | H192 | 117.8° | 120.0° |
| C19 | C17 | C18 | H181 | 178.4° | 60.0° |
| C19 | C17 | C18 | H182 | 56.3° | 60.0° |
| C19 | C17 | C18 | H183 | 69.0° | 180.0° |
| C18 | C17 | C19 | H191 | 58.4° | 54.1° |
| C18 | C17 | C19 | H192 | 51.1° | 65.9° |
| C17 | C18 | H181 | H182 | 123.6° | 120.0° |
| C17 | C18 | H181 | H183 | 118.2° | 120.0° |
| C17 | C18 | H182 | H183 | 125.3° | 120.0° |
| H17 | C17 | C19 | H191 | 177.7° | 65.9° |
| H17 | C17 | C19 | H192 | 68.3° | 174.1° |
| H17 | C17 | C18 | H181 | 63.9° | 180.0° |
| H17 | C17 | C18 | H182 | 61.3° | 60.0° |
| H17 | C17 | C18 | H183 | 173.4° | 60.0° |
| H181 | C18 | H182 | H183 | 109.5° | 120.0° |
| C29 | C28 | H281 | H282 | 116.8° | 120.1° |
| C28 | C29 | C34 | C30 | 179.2° | 179.7° |
| C28 | C29 | C34 | C33 | 179.3° | 180.0° |
| C28 | C29 | C34 | H34 | 0.7° | 0.0° |
| C28 | C29 | C30 | C31 | 179.2° | 179.8° |
| C28 | C29 | C30 | H30 | 0.8° | 0.2° |
| H281 | C28 | C29 | C34 | 25.6° | 23.8° |
| H281 | C28 | C29 | C30 | 155.3° | 155.9° |
| H282 | C28 | C29 | C34 | 83.9° | 143.9° |
| H282 | C28 | C29 | C30 | 95.3° | 35.8° |
| C29 | C34 | C33 | H34 | 180.0° | 180.0° |
| C29 | C34 | C33 | C32 | 0.2° | 0.0° |
| C29 | C34 | C33 | H33 | 179.8° | 180.0° |
| C34 | C29 | C30 | C31 | 1.7° | 0.5° |
| C34 | C29 | C30 | H30 | 178.3° | 180.0° |
| C30 | C29 | C34 | C33 | 1.5° | 0.2° |
| C30 | C29 | C34 | H34 | 178.5° | 179.7° |
| C29 | C30 | C31 | C32 | 0.5° | 0.5° |
| C29 | C30 | C31 | H30 | 180.0° | 179.6° |
| C29 | C30 | C31 | H31 | 179.5° | 179.7° |
| C34 | C33 | C32 | H33 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 1.0° | 0.0° |
| C34 | C33 | C32 | H32 | 179.0° | 179.9° |
| H34 | C34 | C33 | C32 | 179.8° | 180.0° |
| H34 | C34 | C33 | H33 | 0.2° | 0.0° |
| C33 | C32 | C31 | H32 | 180.0° | 179.9° |
| C33 | C32 | C31 | C30 | 0.8° | 0.2° |
| C33 | C32 | C31 | H31 | 179.2° | 180.0° |
| H33 | C33 | C32 | C31 | 179.0° | 180.0° |
| H33 | C33 | C32 | H32 | 1.0° | 0.1° |
| C32 | C31 | C30 | H31 | 180.0° | 179.8° |
| C32 | C31 | C30 | H30 | 179.5° | 180.0° |
| H32 | C32 | C31 | C30 | 179.2° | 179.9° |
| H32 | C32 | C31 | H31 | 0.8° | 0.1° |
| H31 | C31 | C30 | H30 | 0.5° | 0.2° |
