2SS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C9 | doub | 1.40Å | 1.38Å | Aromatic |
| C7 | C15 | sing | 1.48Å | 1.48Å | |
| C8 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C16 | sing | 1.47Å | 1.50Å | |
| C9 | C24 | sing | 1.51Å | 1.48Å | |
| C10 | C25 | sing | 1.51Å | 1.49Å | |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | O38 | sing | 1.36Å | 1.39Å | |
| C12 | O37 | sing | 1.36Å | 1.40Å | |
| C13 | C14 | doub | 1.31Å | 1.34Å | |
| C14 | C26 | sing | 1.51Å | 1.49Å | |
| C15 | N30 | sing | 1.35Å | 1.38Å | |
| C15 | O34 | doub | 1.22Å | 1.22Å | |
| C16 | O32 | sing | 1.35Å | 1.27Å | |
| C16 | O35 | doub | 1.21Å | 1.26Å | |
| C17 | C27 | sing | 1.51Å | 1.52Å | |
| C17 | O33 | sing | 1.34Å | 1.26Å | |
| C17 | O36 | doub | 1.21Å | 1.26Å | |
| C18 | C19 | sing | 1.54Å | 1.53Å | |
| C18 | C20 | sing | 1.54Å | 1.53Å | |
| C19 | C22 | sing | 1.54Å | 1.54Å | |
| C20 | C22 | sing | 1.54Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.50Å | |
| C21 | O37 | sing | 1.43Å | 1.43Å | |
| C22 | C28 | sing | 1.53Å | 1.52Å | |
| C23 | C29 | sing | 1.53Å | 1.52Å | |
| C23 | O38 | sing | 1.43Å | 1.43Å | |
| C24 | N31 | sing | 1.47Å | 1.49Å | |
| C25 | N31 | sing | 1.47Å | 1.53Å | |
| C26 | N31 | sing | 1.47Å | 1.50Å | |
| C27 | C29 | sing | 1.53Å | 1.51Å | |
| C28 | N30 | sing | 1.46Å | 1.45Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C13 | H132 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| N30 | H30 | sing | 0.97Å | 1.00Å | |
| O32 | H32 | sing | 0.97Å | 0.95Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| O33 | H33 | sing | 0.97Å | 0.95Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 120.0° | 120.1° |
| C1 | C2 | C4 | 120.0° | 120.3° |
| C2 | C1 | H1 | 120.0° | 119.9° |
| C1 | C2 | H2 | 120.0° | 119.8° |
| C1 | C3 | C7 | 119.9° | 119.9° |
| C3 | C1 | H1 | 120.0° | 119.9° |
| C1 | C3 | H3 | 120.1° | 120.0° |
| C2 | C4 | C9 | 120.2° | 120.1° |
| C4 | C2 | H2 | 120.0° | 119.9° |
| C2 | C4 | H4 | 119.9° | 119.9° |
| C3 | C7 | C9 | 120.0° | 119.7° |
| C3 | C7 | C15 | 118.3° | 120.1° |
| C7 | C3 | H3 | 120.0° | 120.1° |
| C4 | C9 | C7 | 119.9° | 119.9° |
| C4 | C9 | C24 | 118.1° | 120.0° |
| C9 | C4 | H4 | 119.9° | 120.0° |
| C6 | C5 | C10 | 121.0° | 120.4° |
| C5 | C6 | C11 | 119.0° | 120.4° |
| C6 | C5 | H5 | 119.5° | 119.8° |
| C5 | C6 | H6 | 120.5° | 119.8° |
| C5 | C10 | C8 | 120.1° | 119.9° |
| C5 | C10 | C25 | 117.5° | 120.0° |
| C10 | C5 | H5 | 119.5° | 119.8° |
| C6 | C11 | C12 | 120.5° | 119.9° |
| C6 | C11 | O38 | 117.0° | 119.3° |
| C11 | C6 | H6 | 120.5° | 119.8° |
| C9 | C7 | C15 | 121.6° | 120.2° |
| C7 | C9 | C24 | 122.0° | 120.1° |
| C7 | C15 | N30 | 113.0° | 120.0° |
| C7 | C15 | O34 | 121.5° | 120.0° |
| C10 | C8 | C12 | 118.8° | 119.7° |
| C10 | C8 | C16 | 121.1° | 120.2° |
| C8 | C10 | C25 | 122.4° | 120.1° |
| C12 | C8 | C16 | 120.1° | 120.1° |
| C8 | C12 | C11 | 120.6° | 119.7° |
| C8 | C12 | O37 | 118.6° | 119.5° |
| C8 | C16 | O32 | 113.4° | 120.0° |
| C8 | C16 | O35 | 122.5° | 120.0° |
| C9 | C24 | N31 | 115.3° | 109.5° |
| C9 | C24 | H241 | 108.0° | 109.5° |
| C9 | C24 | H242 | 108.0° | 109.4° |
| C10 | C25 | N31 | 106.7° | 109.5° |
| C10 | C25 | H251 | 110.2° | 109.5° |
| C10 | C25 | H252 | 110.1° | 109.4° |
| C12 | C11 | O38 | 122.5° | 120.7° |
| C11 | C12 | O37 | 120.8° | 120.9° |
| C11 | O38 | C23 | 110.8° | 116.7° |
| C12 | O37 | C21 | 113.6° | 116.7° |
| C13 | C14 | C26 | 122.7° | 120.0° |
| C14 | C13 | H131 | 120.0° | 120.1° |
| C14 | C13 | H132 | 120.0° | 120.0° |
| C13 | C14 | H14 | 118.7° | 120.0° |
| C14 | C26 | N31 | 115.1° | 109.5° |
| C26 | C14 | H14 | 118.7° | 120.0° |
| C14 | C26 | H261 | 108.1° | 109.5° |
| C14 | C26 | H262 | 108.0° | 109.5° |
| N30 | C15 | O34 | 125.5° | 120.0° |
| C15 | N30 | C28 | 124.4° | 120.0° |
| C15 | N30 | H30 | 117.8° | 120.0° |
| O32 | C16 | O35 | 123.8° | 120.0° |
| C16 | O32 | H32 | 109.5° | 117.0° |
| C27 | C17 | O33 | 114.5° | 120.0° |
| C27 | C17 | O36 | 116.9° | 120.0° |
| C17 | C27 | C29 | 104.8° | 109.5° |
| C17 | C27 | H271 | 110.6° | 109.5° |
| C17 | C27 | H272 | 110.6° | 109.4° |
| O33 | C17 | O36 | 128.6° | 120.0° |
| C17 | O33 | H33 | 109.5° | 117.0° |
| C19 | C18 | C20 | 88.4° | 87.1° |
| C18 | C19 | C22 | 90.1° | 87.0° |
| C19 | C18 | H181 | 114.4° | 113.6° |
| C19 | C18 | H182 | 114.5° | 113.6° |
| C18 | C19 | H191 | 114.1° | 113.7° |
| C18 | C19 | H192 | 114.1° | 113.7° |
| C18 | C20 | C22 | 90.2° | 87.1° |
| C20 | C18 | H181 | 114.5° | 113.7° |
| C20 | C18 | H182 | 114.4° | 113.7° |
| C18 | C20 | H201 | 114.1° | 113.6° |
| C18 | C20 | H202 | 114.0° | 113.6° |
| C19 | C22 | C20 | 88.0° | 87.1° |
| C19 | C22 | C28 | 113.3° | 113.6° |
| C22 | C19 | H191 | 114.1° | 113.6° |
| C22 | C19 | H192 | 114.1° | 113.6° |
| C19 | C22 | H22 | 111.8° | 113.6° |
| C20 | C22 | C28 | 117.5° | 113.6° |
| C22 | C20 | H201 | 114.0° | 113.6° |
| C22 | C20 | H202 | 114.1° | 113.7° |
| C20 | C22 | H22 | 112.0° | 113.6° |
| C23 | C21 | O37 | 109.6° | 108.2° |
| C21 | C23 | C29 | 108.8° | 109.7° |
| C21 | C23 | O38 | 108.0° | 108.3° |
| C23 | C21 | H211 | 109.4° | 109.6° |
| C23 | C21 | H212 | 109.4° | 109.7° |
| C21 | C23 | H23 | 109.7° | 109.7° |
| O37 | C21 | H211 | 109.4° | 109.7° |
| O37 | C21 | H212 | 109.5° | 109.7° |
| C22 | C28 | N30 | 110.8° | 109.4° |
| C28 | C22 | H22 | 112.1° | 112.9° |
| C22 | C28 | H281 | 109.2° | 109.5° |
| C22 | C28 | H282 | 109.2° | 109.5° |
| C29 | C23 | O38 | 110.3° | 109.7° |
| C23 | C29 | C27 | 111.3° | 109.5° |
| C29 | C23 | H23 | 109.4° | 109.7° |
| C23 | C29 | H291 | 109.0° | 109.4° |
| C23 | C29 | H292 | 109.0° | 109.5° |
| O38 | C23 | H23 | 110.7° | 109.7° |
| C24 | N31 | C25 | 116.2° | 111.0° |
| C24 | N31 | C26 | 108.3° | 111.0° |
| N31 | C24 | H241 | 108.0° | 109.5° |
| N31 | C24 | H242 | 108.0° | 109.5° |
| C25 | N31 | C26 | 117.9° | 111.0° |
| N31 | C25 | H251 | 110.2° | 109.5° |
| N31 | C25 | H252 | 110.2° | 109.5° |
| N31 | C26 | H261 | 108.1° | 109.4° |
| N31 | C26 | H262 | 108.0° | 109.5° |
| C29 | C27 | H271 | 110.6° | 109.5° |
| C29 | C27 | H272 | 110.7° | 109.5° |
| C27 | C29 | H291 | 109.0° | 109.5° |
| C27 | C29 | H292 | 109.0° | 109.5° |
| C28 | N30 | H30 | 117.8° | 120.0° |
| N30 | C28 | H281 | 109.1° | 109.5° |
| N30 | C28 | H282 | 109.1° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H131 | C13 | H132 | 120.0° | 120.0° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.4° | 109.5° |
| H181 | C18 | H182 | 109.5° | 112.9° |
| H191 | C19 | H192 | 109.5° | 112.9° |
| H201 | C20 | H202 | 109.5° | 112.9° |
| H211 | C21 | H212 | 109.5° | 109.7° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H1 | 180.0° | 179.7° |
| C1 | C2 | C4 | H2 | 180.0° | 180.0° |
| C2 | C1 | C3 | C7 | 0.0° | 0.0° |
| C1 | C2 | C4 | C9 | 0.1° | 0.1° |
| C2 | C1 | C3 | H3 | 180.0° | 180.0° |
| C1 | C2 | C4 | H4 | 179.8° | 179.9° |
| C3 | C1 | C2 | C4 | 0.3° | 0.0° |
| C1 | C3 | C7 | H3 | 180.0° | 180.0° |
| C1 | C3 | C7 | C9 | 0.5° | 0.1° |
| C1 | C3 | C7 | C15 | 179.6° | 180.0° |
| C3 | C1 | C2 | H2 | 179.7° | 180.0° |
| C2 | C4 | C9 | H4 | 180.0° | 180.0° |
| C2 | C4 | C9 | C7 | 0.4° | 0.0° |
| C2 | C4 | C9 | C24 | 179.6° | 180.0° |
| C4 | C2 | C1 | H1 | 179.7° | 179.8° |
| C3 | C7 | C9 | C4 | 0.7° | 0.1° |
| C3 | C7 | C9 | C15 | 179.0° | 179.9° |
| C3 | C7 | C9 | C24 | 179.9° | 179.9° |
| C3 | C7 | C15 | N30 | 52.0° | 0.1° |
| C3 | C7 | C15 | O34 | 130.1° | 180.0° |
| C7 | C3 | C1 | H1 | 180.0° | 179.7° |
| C4 | C9 | C7 | C24 | 179.2° | 179.9° |
| C4 | C9 | C7 | C15 | 179.7° | 180.0° |
| C4 | C9 | C24 | N31 | 80.2° | 99.9° |
| C9 | C4 | C2 | H2 | 179.9° | 180.0° |
| C4 | C9 | C24 | H241 | 40.6° | 20.1° |
| C4 | C9 | C24 | H242 | 158.9° | 140.0° |
| C6 | C5 | C10 | H5 | 180.0° | 179.7° |
| C5 | C6 | C11 | H6 | 180.0° | 179.9° |
| C6 | C5 | C10 | C8 | 0.6° | 0.1° |
| C6 | C5 | C10 | C25 | 179.4° | 179.9° |
| C5 | C6 | C11 | C12 | 1.8° | 0.1° |
| C5 | C6 | C11 | O38 | 178.6° | 179.6° |
| C10 | C5 | C6 | C11 | 1.5° | 0.0° |
| C5 | C10 | C8 | C25 | 178.7° | 180.0° |
| C5 | C10 | C8 | C12 | 0.1° | 0.0° |
| C5 | C10 | C8 | C16 | 178.0° | 179.9° |
| C5 | C10 | C25 | N31 | 108.6° | 102.1° |
| C10 | C5 | C6 | H6 | 178.5° | 179.9° |
| C5 | C10 | C25 | H251 | 131.8° | 17.9° |
| C5 | C10 | C25 | H252 | 10.9° | 137.9° |
| C6 | C11 | C12 | C8 | 1.3° | 0.2° |
| C6 | C11 | C12 | O38 | 179.6° | 179.8° |
| C6 | C11 | C12 | O37 | 178.8° | 179.7° |
| C6 | C11 | O38 | C23 | 156.8° | 163.0° |
| C11 | C6 | C5 | H5 | 178.5° | 179.7° |
| C9 | C7 | C15 | N30 | 127.1° | 180.0° |
| C9 | C7 | C15 | O34 | 50.9° | 0.1° |
| C7 | C9 | C24 | N31 | 100.6° | 80.0° |
| C9 | C7 | C3 | H3 | 179.5° | 180.0° |
| C7 | C9 | C4 | H4 | 179.7° | 180.0° |
| C7 | C9 | C24 | H241 | 138.6° | 160.0° |
| C7 | C9 | C24 | H242 | 20.3° | 40.1° |
| C15 | C7 | C9 | C24 | 1.1° | 0.0° |
| C7 | C15 | N30 | O34 | 177.9° | 179.9° |
| C7 | C15 | N30 | C28 | 176.3° | 179.9° |
| C15 | C7 | C3 | H3 | 0.4° | 0.1° |
| C7 | C15 | N30 | H30 | 3.7° | 0.0° |
| C10 | C8 | C12 | C16 | 177.9° | 179.9° |
| C10 | C8 | C12 | C11 | 0.4° | 0.1° |
| C10 | C8 | C12 | O37 | 177.9° | 179.8° |
| C10 | C8 | C16 | O32 | 135.1° | 94.7° |
| C10 | C8 | C16 | O35 | 38.5° | 85.3° |
| C8 | C10 | C25 | N31 | 70.1° | 77.9° |
| C8 | C10 | C5 | H5 | 179.3° | 179.8° |
| C8 | C10 | C25 | H251 | 49.5° | 162.1° |
| C8 | C10 | C25 | H252 | 170.3° | 42.1° |
| C12 | C8 | C10 | C25 | 178.8° | 180.0° |
| C8 | C12 | C11 | O37 | 177.5° | 179.9° |
| C8 | C12 | C11 | O38 | 179.2° | 179.6° |
| C12 | C8 | C16 | O32 | 42.8° | 85.4° |
| C12 | C8 | C16 | O35 | 143.7° | 94.7° |
| C8 | C12 | O37 | C21 | 169.2° | 162.7° |
| C16 | C8 | C10 | C25 | 3.3° | 0.1° |
| C16 | C8 | C12 | C11 | 178.3° | 179.9° |
| C16 | C8 | C12 | O37 | 4.2° | 0.2° |
| C8 | C16 | O32 | O35 | 173.4° | 180.0° |
| C8 | C16 | O32 | H32 | 173.5° | 180.0° |
| C9 | C24 | N31 | H241 | 120.9° | 120.0° |
| C9 | C24 | N31 | H242 | 120.9° | 120.0° |
| C9 | C24 | N31 | C25 | 68.2° | 170.0° |
| C9 | C24 | N31 | C26 | 156.2° | 66.0° |
| C24 | C9 | C4 | H4 | 0.4° | 0.0° |
| C9 | C24 | H241 | H242 | 117.4° | 119.9° |
| C10 | C25 | N31 | C24 | 173.7° | 76.4° |
| C10 | C25 | N31 | H251 | 119.6° | 120.0° |
| C10 | C25 | N31 | H252 | 119.6° | 120.0° |
| C10 | C25 | N31 | C26 | 42.6° | 159.6° |
| C25 | C10 | C5 | H5 | 0.6° | 0.2° |
| C10 | C25 | H251 | H252 | 121.3° | 120.0° |
| C11 | C12 | O37 | C21 | 13.3° | 17.4° |
| C12 | C11 | O38 | C23 | 23.6° | 17.3° |
| C12 | C11 | C6 | H6 | 178.2° | 179.8° |
| O38 | C11 | C12 | O37 | 1.7° | 0.5° |
| C11 | O38 | C23 | C21 | 54.3° | 46.1° |
| C11 | O38 | C23 | C29 | 173.1° | 165.9° |
| O38 | C11 | C6 | H6 | 1.4° | 0.4° |
| C11 | O38 | C23 | H23 | 65.7° | 73.6° |
| C12 | O37 | C21 | C23 | 44.8° | 46.3° |
| C12 | O37 | C21 | H211 | 164.8° | 165.9° |
| C12 | O37 | C21 | H212 | 75.2° | 73.4° |
| C13 | C14 | C26 | H14 | 180.0° | 180.0° |
| C13 | C14 | C26 | N31 | 108.4° | 124.7° |
| C14 | C13 | H131 | H132 | 180.0° | 180.0° |
| C13 | C14 | C26 | H261 | 12.5° | 115.4° |
| C13 | C14 | C26 | H262 | 130.8° | 4.6° |
| C14 | C26 | N31 | C24 | 69.5° | 163.9° |
| C14 | C26 | N31 | C25 | 65.1° | 72.1° |
| C14 | C26 | N31 | H261 | 120.8° | 120.0° |
| C14 | C26 | N31 | H262 | 120.8° | 120.1° |
| C26 | C14 | C13 | H131 | 0.0° | 180.0° |
| C26 | C14 | C13 | H132 | 180.0° | 0.0° |
| C14 | C26 | H261 | H262 | 117.4° | 120.1° |
| C15 | N30 | C28 | C22 | 91.4° | 180.0° |
| C15 | N30 | C28 | H30 | 180.0° | 180.0° |
| C15 | N30 | C28 | H281 | 148.4° | 60.0° |
| C15 | N30 | C28 | H282 | 28.8° | 60.0° |
| O34 | C15 | N30 | C28 | 5.9° | 0.0° |
| O34 | C15 | N30 | H30 | 174.1° | 180.0° |
| O35 | C16 | O32 | H32 | 0.0° | 0.0° |
| C27 | C17 | O33 | O36 | 178.2° | 179.9° |
| C17 | C27 | C29 | C23 | 80.9° | 180.0° |
| C17 | C27 | C29 | H271 | 119.2° | 120.0° |
| C17 | C27 | C29 | H272 | 119.3° | 119.9° |
| C17 | C27 | H271 | H272 | 122.2° | 119.9° |
| C27 | C17 | O33 | H33 | 178.2° | 180.0° |
| C17 | C27 | C29 | H291 | 158.8° | 60.1° |
| C17 | C27 | C29 | H292 | 39.3° | 60.0° |
| O33 | C17 | C27 | C29 | 137.4° | 180.0° |
| O33 | C17 | C27 | H271 | 103.4° | 60.0° |
| O33 | C17 | C27 | H272 | 18.1° | 60.0° |
| O36 | C17 | C27 | C29 | 44.2° | 0.1° |
| O36 | C17 | C27 | H271 | 75.0° | 120.0° |
| O36 | C17 | C27 | H272 | 163.5° | 120.1° |
| O36 | C17 | O33 | H33 | 0.0° | 0.0° |
| C19 | C18 | C20 | H181 | 116.2° | 114.5° |
| C19 | C18 | C20 | H182 | 116.3° | 114.5° |
| C18 | C19 | C22 | H191 | 116.6° | 114.6° |
| C18 | C19 | C22 | H192 | 116.6° | 114.6° |
| C19 | C18 | C20 | C22 | 13.8° | 25.4° |
| C18 | C19 | C22 | C28 | 132.9° | 140.0° |
| C19 | C18 | H181 | H182 | 130.0° | 131.1° |
| C18 | C19 | H191 | H192 | 129.2° | 131.4° |
| C19 | C18 | C20 | H201 | 130.4° | 140.0° |
| C19 | C18 | C20 | H202 | 102.8° | 89.1° |
| C18 | C19 | C22 | H22 | 99.2° | 89.2° |
| C18 | C20 | C22 | H201 | 116.6° | 114.5° |
| C18 | C20 | C22 | H202 | 116.6° | 114.5° |
| C18 | C20 | C22 | C28 | 129.0° | 140.0° |
| C20 | C18 | H181 | H182 | 130.0° | 131.3° |
| C20 | C18 | C19 | H191 | 102.8° | 89.1° |
| C20 | C18 | C19 | H192 | 130.3° | 139.9° |
| C18 | C20 | H201 | H202 | 129.1° | 131.2° |
| C18 | C20 | C22 | H22 | 99.1° | 89.1° |
| C19 | C22 | C20 | C28 | 115.3° | 114.5° |
| C19 | C22 | C20 | H22 | 112.8° | 114.5° |
| C19 | C22 | C28 | H22 | 127.7° | 131.2° |
| C19 | C22 | C28 | N30 | 161.0° | 175.0° |
| C22 | C19 | C18 | H181 | 102.5° | 89.2° |
| C22 | C19 | C18 | H182 | 129.9° | 140.0° |
| C22 | C19 | H191 | H192 | 129.2° | 131.2° |
| C19 | C22 | C20 | H201 | 130.3° | 139.9° |
| C19 | C22 | C20 | H202 | 102.9° | 89.1° |
| C19 | C22 | C28 | H281 | 40.8° | 65.0° |
| C19 | C22 | C28 | H282 | 78.8° | 55.0° |
| C20 | C22 | C28 | H22 | 131.8° | 131.3° |
| C20 | C22 | C28 | N30 | 60.6° | 87.5° |
| C22 | C20 | C18 | H181 | 102.5° | 89.1° |
| C22 | C20 | C18 | H182 | 130.1° | 140.0° |
| C20 | C22 | C19 | H191 | 102.8° | 89.1° |
| C20 | C22 | C19 | H192 | 130.3° | 140.0° |
| C22 | C20 | H201 | H202 | 129.2° | 131.3° |
| C20 | C22 | C28 | H281 | 59.6° | 32.5° |
| C20 | C22 | C28 | H282 | 179.3° | 152.5° |
| C23 | C21 | O37 | H211 | 120.0° | 119.6° |
| C23 | C21 | O37 | H212 | 120.0° | 119.7° |
| C21 | C23 | C29 | O38 | 118.3° | 118.8° |
| C21 | C23 | C29 | H23 | 119.8° | 120.6° |
| C21 | C23 | O38 | H23 | 120.0° | 119.7° |
| C21 | C23 | C29 | C27 | 173.3° | 175.0° |
| C23 | C21 | H211 | H212 | 119.9° | 120.6° |
| C21 | C23 | C29 | H291 | 53.0° | 65.0° |
| C21 | C23 | C29 | H292 | 66.5° | 55.0° |
| O37 | C21 | C23 | C29 | 173.1° | 179.4° |
| O37 | C21 | C23 | O38 | 67.1° | 59.7° |
| O37 | C21 | H211 | H212 | 120.0° | 120.6° |
| O37 | C21 | C23 | H23 | 53.5° | 60.1° |
| C22 | C28 | N30 | H281 | 120.2° | 120.0° |
| C22 | C28 | N30 | H282 | 120.2° | 120.0° |
| C22 | C28 | N30 | H30 | 88.6° | 0.0° |
| C28 | C22 | C19 | H191 | 16.3° | 25.4° |
| C28 | C22 | C19 | H192 | 110.5° | 105.4° |
| C28 | C22 | C20 | H201 | 114.4° | 105.5° |
| C28 | C22 | C20 | H202 | 12.4° | 25.4° |
| C22 | C28 | H281 | H282 | 119.4° | 120.0° |
| C29 | C23 | O38 | H23 | 121.2° | 120.5° |
| C23 | C29 | C27 | H291 | 120.3° | 119.9° |
| C23 | C29 | C27 | H292 | 120.3° | 120.0° |
| C23 | C29 | C27 | H271 | 159.8° | 60.0° |
| C23 | C29 | C27 | H272 | 38.3° | 60.1° |
| C29 | C23 | C21 | H211 | 53.1° | 60.9° |
| C29 | C23 | C21 | H212 | 66.9° | 59.7° |
| C23 | C29 | H291 | H292 | 119.1° | 120.0° |
| O38 | C23 | C29 | C27 | 55.0° | 66.1° |
| O38 | C23 | C21 | H211 | 172.9° | 179.3° |
| O38 | C23 | C21 | H212 | 52.9° | 60.0° |
| O38 | C23 | C29 | H291 | 65.3° | 53.8° |
| O38 | C23 | C29 | H292 | 175.2° | 173.8° |
| C24 | N31 | C25 | C26 | 131.2° | 124.0° |
| N31 | C24 | H241 | H242 | 117.3° | 120.1° |
| C24 | N31 | C25 | H251 | 66.7° | 43.6° |
| C24 | N31 | C25 | H252 | 54.2° | 163.6° |
| C24 | N31 | C26 | H261 | 51.3° | 76.2° |
| C24 | N31 | C26 | H262 | 169.7° | 43.8° |
| C25 | N31 | C24 | H241 | 170.9° | 70.0° |
| C25 | N31 | C24 | H242 | 52.6° | 50.0° |
| N31 | C25 | H251 | H252 | 121.3° | 120.0° |
| C25 | N31 | C26 | H261 | 174.0° | 47.8° |
| C25 | N31 | C26 | H262 | 55.7° | 167.8° |
| C26 | N31 | C24 | H241 | 35.4° | 54.0° |
| C26 | N31 | C24 | H242 | 82.9° | 174.0° |
| C26 | N31 | C25 | H251 | 162.1° | 80.4° |
| C26 | N31 | C25 | H252 | 77.0° | 39.6° |
| N31 | C26 | C14 | H14 | 71.6° | 55.4° |
| N31 | C26 | H261 | H262 | 117.4° | 120.0° |
| C29 | C27 | H271 | H272 | 122.2° | 120.0° |
| C27 | C29 | C23 | H23 | 67.0° | 54.4° |
| C27 | C29 | H291 | H292 | 119.1° | 120.0° |
| N30 | C28 | C22 | H22 | 71.3° | 43.8° |
| N30 | C28 | H281 | H282 | 119.4° | 120.0° |
| H1 | C1 | C2 | H2 | 0.3° | 0.3° |
| H1 | C1 | C3 | H3 | 0.0° | 0.3° |
| H2 | C2 | C4 | H4 | 0.1° | 0.0° |
| H5 | C5 | C6 | H6 | 1.5° | 0.4° |
| H131 | C13 | C14 | H14 | 180.0° | 0.1° |
| H132 | C13 | C14 | H14 | 0.0° | 180.0° |
| H14 | C14 | C26 | H261 | 167.5° | 64.6° |
| H14 | C14 | C26 | H262 | 49.2° | 175.4° |
| H30 | N30 | C28 | H281 | 31.6° | 120.0° |
| H30 | N30 | C28 | H282 | 151.2° | 120.0° |
| H271 | C27 | C29 | H291 | 39.5° | 60.0° |
| H271 | C27 | C29 | H292 | 79.9° | 180.0° |
| H272 | C27 | C29 | H291 | 82.0° | 180.0° |
| H272 | C27 | C29 | H292 | 158.6° | 60.0° |
| H181 | C18 | C19 | H191 | 140.9° | 156.3° |
| H181 | C18 | C19 | H192 | 14.0° | 25.3° |
| H181 | C18 | C20 | H201 | 14.1° | 25.5° |
| H181 | C18 | C20 | H202 | 140.9° | 156.3° |
| H182 | C18 | C19 | H191 | 13.4° | 25.5° |
| H182 | C18 | C19 | H192 | 113.5° | 105.4° |
| H182 | C18 | C20 | H201 | 113.3° | 105.5° |
| H182 | C18 | C20 | H202 | 13.4° | 25.4° |
| H191 | C19 | C22 | H22 | 144.2° | 156.3° |
| H192 | C19 | C22 | H22 | 17.4° | 25.5° |
| H201 | C20 | C22 | H22 | 17.5° | 25.4° |
| H202 | C20 | C22 | H22 | 144.3° | 156.3° |
| H22 | C22 | C28 | H281 | 168.6° | 163.8° |
| H22 | C22 | C28 | H282 | 48.9° | 76.2° |
| H211 | C21 | C23 | H23 | 66.5° | 59.6° |
| H212 | C21 | C23 | H23 | 173.6° | 179.8° |
| H23 | C23 | C29 | H291 | 172.7° | 174.4° |
| H23 | C23 | C29 | H292 | 53.3° | 65.6° |
