ZSW
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 | 1.37Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C10 | doub | 1.38Å | 1.39Å | 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 | 1.40Å | Aromatic |
| C8 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C16 | sing | 1.47Å | 1.49Å | |
| C9 | C26 | sing | 1.51Å | 1.48Å | |
| C10 | C27 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | O40 | sing | 1.36Å | 1.37Å | |
| C12 | O39 | sing | 1.36Å | 1.39Å | |
| C13 | C14 | doub | 1.31Å | 1.34Å | |
| C14 | C28 | sing | 1.51Å | 1.47Å | |
| C15 | N32 | sing | 1.35Å | 1.38Å | |
| C15 | O36 | doub | 1.22Å | 1.22Å | |
| C16 | O34 | doub | 1.22Å | 1.27Å | |
| C16 | O37 | sing | 1.35Å | 1.26Å | |
| C17 | C29 | sing | 1.51Å | 1.52Å | |
| C17 | O35 | doub | 1.21Å | 1.26Å | |
| C17 | O38 | sing | 1.34Å | 1.26Å | |
| C18 | C20 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| C20 | N32 | sing | 1.46Å | 1.45Å | |
| C23 | C25 | sing | 1.53Å | 1.51Å | |
| C23 | O39 | sing | 1.43Å | 1.43Å | |
| C25 | C31 | sing | 1.53Å | 1.53Å | |
| C25 | O40 | sing | 1.43Å | 1.43Å | |
| C26 | N33 | sing | 1.47Å | 1.50Å | |
| C27 | N33 | sing | 1.47Å | 1.52Å | |
| C28 | N33 | sing | 1.47Å | 1.50Å | |
| C29 | C31 | sing | 1.53Å | 1.51Å | |
| 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 | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | 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 | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| N32 | H32 | sing | 0.97Å | 1.00Å | |
| O37 | H37 | sing | 0.97Å | 0.95Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| O38 | H38 | sing | 0.97Å | 0.95Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| N33 | H33 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 120.4° | 120.2° |
| C1 | C2 | C4 | 120.0° | 120.3° |
| C2 | C1 | H1 | 119.8° | 120.0° |
| C1 | C2 | H2 | 120.0° | 119.9° |
| C1 | C3 | C7 | 119.3° | 119.8° |
| C3 | C1 | H1 | 119.8° | 119.9° |
| C1 | C3 | H3 | 120.3° | 120.1° |
| C2 | C4 | C9 | 119.8° | 120.1° |
| C4 | C2 | H2 | 120.0° | 119.8° |
| C2 | C4 | H4 | 120.1° | 120.0° |
| C3 | C7 | C9 | 120.5° | 119.7° |
| C3 | C7 | C15 | 118.0° | 120.1° |
| C7 | C3 | H3 | 120.3° | 120.1° |
| C4 | C9 | C7 | 119.9° | 119.9° |
| C4 | C9 | C26 | 118.2° | 120.1° |
| C9 | C4 | H4 | 120.1° | 119.9° |
| C6 | C5 | C10 | 121.4° | 120.3° |
| C5 | C6 | C11 | 118.1° | 120.4° |
| C6 | C5 | H5 | 119.3° | 119.8° |
| C5 | C6 | H6 | 121.0° | 119.8° |
| C5 | C10 | C8 | 120.4° | 120.0° |
| C5 | C10 | C27 | 117.5° | 120.1° |
| C10 | C5 | H5 | 119.3° | 119.8° |
| C6 | C11 | C12 | 121.5° | 119.9° |
| C6 | C11 | O40 | 116.0° | 119.4° |
| C11 | C6 | H6 | 120.9° | 119.8° |
| C9 | C7 | C15 | 121.5° | 120.1° |
| C7 | C9 | C26 | 121.9° | 120.1° |
| C7 | C15 | N32 | 109.9° | 120.0° |
| C7 | C15 | O36 | 121.7° | 120.0° |
| C10 | C8 | C12 | 118.1° | 119.7° |
| C10 | C8 | C16 | 121.2° | 120.2° |
| C8 | C10 | C27 | 122.1° | 120.0° |
| C12 | C8 | C16 | 120.6° | 120.1° |
| C8 | C12 | C11 | 120.4° | 119.7° |
| C8 | C12 | O39 | 117.9° | 119.4° |
| C8 | C16 | O34 | 116.3° | 120.0° |
| C8 | C16 | O37 | 119.4° | 120.0° |
| C9 | C26 | N33 | 110.3° | 109.5° |
| C9 | C26 | H261 | 109.3° | 109.4° |
| C9 | C26 | H262 | 109.2° | 109.5° |
| C10 | C27 | N33 | 109.1° | 109.5° |
| C10 | C27 | H271 | 109.6° | 109.4° |
| C10 | C27 | H272 | 109.6° | 109.5° |
| C12 | C11 | O40 | 122.4° | 120.7° |
| C11 | C12 | O39 | 121.6° | 120.9° |
| C11 | O40 | C25 | 111.5° | 116.7° |
| C12 | O39 | C23 | 112.9° | 116.7° |
| C13 | C14 | C28 | 120.0° | 120.0° |
| C14 | C13 | H131 | 120.0° | 120.0° |
| C14 | C13 | H132 | 120.0° | 120.0° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C14 | C28 | N33 | 114.8° | 109.5° |
| C28 | C14 | H14 | 120.0° | 120.0° |
| C14 | C28 | H281 | 108.1° | 109.5° |
| C14 | C28 | H282 | 108.1° | 109.5° |
| N32 | C15 | O36 | 128.3° | 120.0° |
| C15 | N32 | C20 | 131.7° | 120.0° |
| C15 | N32 | H32 | 114.2° | 120.0° |
| O34 | C16 | O37 | 124.0° | 120.0° |
| C16 | O37 | H37 | 109.5° | 117.0° |
| C29 | C17 | O35 | 117.3° | 120.0° |
| C29 | C17 | O38 | 115.3° | 120.0° |
| C17 | C29 | C31 | 106.0° | 109.5° |
| C17 | C29 | H291 | 110.3° | 109.4° |
| C17 | C29 | H292 | 110.3° | 109.4° |
| O35 | C17 | O38 | 127.4° | 120.0° |
| C17 | O38 | H38 | 109.5° | 117.0° |
| C20 | C18 | C19 | 110.8° | 109.5° |
| C18 | C20 | C22 | 110.7° | 109.5° |
| C18 | C20 | N32 | 112.4° | 109.5° |
| C20 | C18 | H181 | 109.2° | 109.5° |
| C20 | C18 | H182 | 109.2° | 109.4° |
| C18 | C20 | H20 | 105.9° | 109.4° |
| C19 | C18 | H181 | 109.1° | 109.5° |
| C19 | C18 | H182 | 109.1° | 109.5° |
| C18 | C19 | H191 | 109.5° | 109.5° |
| C18 | C19 | H192 | 109.5° | 109.5° |
| C18 | C19 | H193 | 109.5° | 109.4° |
| C22 | C20 | N32 | 115.0° | 109.5° |
| C22 | C20 | H20 | 105.7° | 109.5° |
| C20 | C22 | H221 | 109.5° | 109.5° |
| C20 | C22 | H222 | 109.5° | 109.5° |
| C20 | C22 | H223 | 109.5° | 109.4° |
| C20 | N32 | H32 | 114.2° | 120.0° |
| N32 | C20 | H20 | 106.4° | 109.5° |
| C25 | C23 | O39 | 108.4° | 108.3° |
| C23 | C25 | C31 | 109.2° | 109.7° |
| C23 | C25 | O40 | 109.3° | 108.2° |
| C25 | C23 | H231 | 109.7° | 109.7° |
| C25 | C23 | H232 | 109.8° | 109.8° |
| C23 | C25 | H25 | 109.2° | 109.7° |
| O39 | C23 | H231 | 109.8° | 109.7° |
| O39 | C23 | H232 | 109.7° | 109.7° |
| C31 | C25 | O40 | 110.0° | 109.7° |
| C25 | C31 | C29 | 110.6° | 109.5° |
| C31 | C25 | H25 | 108.9° | 109.7° |
| C25 | C31 | H311 | 109.2° | 109.5° |
| C25 | C31 | H312 | 109.2° | 109.5° |
| O40 | C25 | H25 | 110.2° | 109.8° |
| C26 | N33 | C27 | 116.2° | 109.5° |
| C26 | N33 | C28 | 109.5° | 109.5° |
| N33 | C26 | H261 | 109.3° | 109.5° |
| N33 | C26 | H262 | 109.3° | 109.5° |
| C26 | N33 | H33 | 103.6° | 109.5° |
| C27 | N33 | C28 | 118.4° | 109.4° |
| N33 | C27 | H271 | 109.6° | 109.5° |
| N33 | C27 | H272 | 109.6° | 109.5° |
| C27 | N33 | H33 | 103.3° | 109.5° |
| N33 | C28 | H281 | 108.1° | 109.5° |
| N33 | C28 | H282 | 108.1° | 109.4° |
| C28 | N33 | H33 | 103.5° | 109.5° |
| C31 | C29 | H291 | 110.4° | 109.5° |
| C31 | C29 | H292 | 110.4° | 109.5° |
| C29 | C31 | H311 | 109.2° | 109.4° |
| C29 | C31 | H312 | 109.2° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.4° |
| H271 | C27 | H272 | 109.4° | 109.5° |
| H131 | C13 | H132 | 120.0° | 120.0° |
| H281 | C28 | H282 | 109.4° | 109.5° |
| H291 | C29 | H292 | 109.4° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H191 | C19 | H193 | 109.4° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.4° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.7° |
| H311 | C31 | H312 | 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° | 179.6° |
| C1 | C2 | C4 | H2 | 180.0° | 179.9° |
| C2 | C1 | C3 | C7 | 0.5° | 0.1° |
| C1 | C2 | C4 | C9 | 0.1° | 0.1° |
| C2 | C1 | C3 | H3 | 179.5° | 179.9° |
| C1 | C2 | C4 | H4 | 179.9° | 179.9° |
| C3 | C1 | C2 | C4 | 0.3° | 0.1° |
| C1 | C3 | C7 | H3 | 180.0° | 179.9° |
| C1 | C3 | C7 | C9 | 0.3° | 0.0° |
| C1 | C3 | C7 | C15 | 178.5° | 180.0° |
| C3 | C1 | C2 | H2 | 179.7° | 180.0° |
| C2 | C4 | C9 | H4 | 180.0° | 180.0° |
| C2 | C4 | C9 | C7 | 0.3° | 0.1° |
| C2 | C4 | C9 | C26 | 179.3° | 180.0° |
| C4 | C2 | C1 | H1 | 179.7° | 179.7° |
| C3 | C7 | C9 | C4 | 0.1° | 0.0° |
| C3 | C7 | C9 | C15 | 178.7° | 180.0° |
| C3 | C7 | C9 | C26 | 179.5° | 179.9° |
| C3 | C7 | C15 | N32 | 53.6° | 0.0° |
| C3 | C7 | C15 | O36 | 130.1° | 180.0° |
| C7 | C3 | C1 | H1 | 179.5° | 179.7° |
| C4 | C9 | C7 | C26 | 179.6° | 179.9° |
| C4 | C9 | C7 | C15 | 178.8° | 180.0° |
| C4 | C9 | C26 | N33 | 76.8° | 100.0° |
| C9 | C4 | C2 | H2 | 179.9° | 180.0° |
| C4 | C9 | C26 | H261 | 43.3° | 20.0° |
| C4 | C9 | C26 | H262 | 163.0° | 140.0° |
| C6 | C5 | C10 | H5 | 180.0° | 179.8° |
| C5 | C6 | C11 | H6 | 180.0° | 180.0° |
| C6 | C5 | C10 | C8 | 0.5° | 0.0° |
| C6 | C5 | C10 | C27 | 178.6° | 179.9° |
| C5 | C6 | C11 | C12 | 1.9° | 0.2° |
| C5 | C6 | C11 | O40 | 179.9° | 179.6° |
| C10 | C5 | C6 | C11 | 0.6° | 0.1° |
| C5 | C10 | C8 | C27 | 179.1° | 179.9° |
| C5 | C10 | C8 | C12 | 0.2° | 0.0° |
| C5 | C10 | C8 | C16 | 178.0° | 180.0° |
| C5 | C10 | C27 | N33 | 110.6° | 95.5° |
| C10 | C5 | C6 | H6 | 179.5° | 180.0° |
| C5 | C10 | C27 | H271 | 129.5° | 24.5° |
| C5 | C10 | C27 | H272 | 9.4° | 144.5° |
| C6 | C11 | C12 | C8 | 2.2° | 0.2° |
| C6 | C11 | C12 | O40 | 177.9° | 179.8° |
| C6 | C11 | C12 | O39 | 179.4° | 179.6° |
| C6 | C11 | O40 | C25 | 161.3° | 162.8° |
| C11 | C6 | C5 | H5 | 179.5° | 179.7° |
| C9 | C7 | C15 | N32 | 125.2° | 180.0° |
| C9 | C7 | C15 | O36 | 51.2° | 0.0° |
| C7 | C9 | C26 | N33 | 102.8° | 80.0° |
| C9 | C7 | C3 | H3 | 179.7° | 179.9° |
| C7 | C9 | C4 | H4 | 179.7° | 180.0° |
| C7 | C9 | C26 | H261 | 137.1° | 160.0° |
| C7 | C9 | C26 | H262 | 17.3° | 40.1° |
| C15 | C7 | C9 | C26 | 0.8° | 0.1° |
| C7 | C15 | N32 | O36 | 176.1° | 180.0° |
| C7 | C15 | N32 | C20 | 161.5° | 180.0° |
| C15 | C7 | C3 | H3 | 1.5° | 0.0° |
| C7 | C15 | N32 | H32 | 18.5° | 0.0° |
| C10 | C8 | C12 | C16 | 178.2° | 180.0° |
| C10 | C8 | C12 | C11 | 1.1° | 0.1° |
| C10 | C8 | C12 | O39 | 178.3° | 179.7° |
| C10 | C8 | C16 | O34 | 133.3° | 87.4° |
| C10 | C8 | C16 | O37 | 41.4° | 92.5° |
| C8 | C10 | C27 | N33 | 68.5° | 84.4° |
| C8 | C10 | C5 | H5 | 179.5° | 179.8° |
| C8 | C10 | C27 | H271 | 51.4° | 155.6° |
| C8 | C10 | C27 | H272 | 171.5° | 35.6° |
| C12 | C8 | C10 | C27 | 178.8° | 179.9° |
| C8 | C12 | C11 | O39 | 177.2° | 179.9° |
| C8 | C12 | C11 | O40 | 179.9° | 179.6° |
| C12 | C8 | C16 | O34 | 44.9° | 92.6° |
| C12 | C8 | C16 | O37 | 140.4° | 87.5° |
| C8 | C12 | O39 | C23 | 165.1° | 162.7° |
| C16 | C8 | C10 | C27 | 2.9° | 0.1° |
| C16 | C8 | C12 | C11 | 179.3° | 179.9° |
| C16 | C8 | C12 | O39 | 3.4° | 0.2° |
| C8 | C16 | O34 | O37 | 174.4° | 179.9° |
| C8 | C16 | O37 | H37 | 174.2° | 180.0° |
| C9 | C26 | N33 | H261 | 120.1° | 120.0° |
| C9 | C26 | N33 | H262 | 120.1° | 120.0° |
| C9 | C26 | N33 | C27 | 77.9° | 175.0° |
| C9 | C26 | N33 | C28 | 144.5° | 65.0° |
| C26 | C9 | C4 | H4 | 0.7° | 0.0° |
| C9 | C26 | H261 | H262 | 119.6° | 119.9° |
| C9 | C26 | N33 | H33 | 34.6° | 55.0° |
| C10 | C27 | N33 | C26 | 163.8° | 67.3° |
| C10 | C27 | N33 | H271 | 120.0° | 120.0° |
| C10 | C27 | N33 | H272 | 120.0° | 120.0° |
| C10 | C27 | N33 | C28 | 30.2° | 172.7° |
| C27 | C10 | C5 | H5 | 1.4° | 0.1° |
| C10 | C27 | H271 | H272 | 120.2° | 120.0° |
| C10 | C27 | N33 | H33 | 83.5° | 52.7° |
| C11 | C12 | O39 | C23 | 17.6° | 17.4° |
| C12 | C11 | O40 | C25 | 20.7° | 17.4° |
| C12 | C11 | C6 | H6 | 178.1° | 179.8° |
| O40 | C11 | C12 | O39 | 2.8° | 0.6° |
| C11 | O40 | C25 | C23 | 51.3° | 46.2° |
| C11 | O40 | C25 | C31 | 171.2° | 165.8° |
| O40 | C11 | C6 | H6 | 0.1° | 0.3° |
| C11 | O40 | C25 | H25 | 68.7° | 73.5° |
| C12 | O39 | C23 | C25 | 47.6° | 46.3° |
| C12 | O39 | C23 | H231 | 167.4° | 165.9° |
| C12 | O39 | C23 | H232 | 72.2° | 73.5° |
| C13 | C14 | C28 | H14 | 180.0° | 180.0° |
| C13 | C14 | C28 | N33 | 124.1° | 123.6° |
| C14 | C13 | H131 | H132 | 180.0° | 180.0° |
| C13 | C14 | C28 | H281 | 3.3° | 116.4° |
| C13 | C14 | C28 | H282 | 115.1° | 3.6° |
| C14 | C28 | N33 | C26 | 50.6° | 175.4° |
| C14 | C28 | N33 | C27 | 85.9° | 64.6° |
| C14 | C28 | N33 | H281 | 120.8° | 120.0° |
| C14 | C28 | N33 | H282 | 120.8° | 120.0° |
| C28 | C14 | C13 | H131 | 0.0° | 180.0° |
| C28 | C14 | C13 | H132 | 180.0° | 0.1° |
| C14 | C28 | H281 | H282 | 117.6° | 120.0° |
| C14 | C28 | N33 | H33 | 160.5° | 55.4° |
| C15 | N32 | C20 | C18 | 88.1° | 155.0° |
| C15 | N32 | C20 | C22 | 39.7° | 85.0° |
| C15 | N32 | C20 | H32 | 180.0° | 180.0° |
| C15 | N32 | C20 | H20 | 156.4° | 35.0° |
| O36 | C15 | N32 | C20 | 22.5° | 0.0° |
| O36 | C15 | N32 | H32 | 157.5° | 180.0° |
| O34 | C16 | O37 | H37 | 0.0° | 0.1° |
| C29 | C17 | O35 | O38 | 179.1° | 180.0° |
| C17 | C29 | C31 | C25 | 77.9° | 180.0° |
| C17 | C29 | C31 | H291 | 119.5° | 120.0° |
| C17 | C29 | C31 | H292 | 119.5° | 120.0° |
| C17 | C29 | H291 | H292 | 121.6° | 119.9° |
| C29 | C17 | O38 | H38 | 179.1° | 180.0° |
| C17 | C29 | C31 | H311 | 161.9° | 60.0° |
| C17 | C29 | C31 | H312 | 42.3° | 60.0° |
| O35 | C17 | C29 | C31 | 39.4° | 0.1° |
| O35 | C17 | C29 | H291 | 80.1° | 120.1° |
| O35 | C17 | C29 | H292 | 158.9° | 120.0° |
| O35 | C17 | O38 | H38 | 0.0° | 0.0° |
| O38 | C17 | C29 | C31 | 141.4° | 180.0° |
| O38 | C17 | C29 | H291 | 99.1° | 59.9° |
| O38 | C17 | C29 | H292 | 21.9° | 60.0° |
| C20 | C18 | C19 | H181 | 120.2° | 120.0° |
| C20 | C18 | C19 | H182 | 120.2° | 119.9° |
| C18 | C20 | C22 | N32 | 128.7° | 120.1° |
| C18 | C20 | C22 | H20 | 114.2° | 120.0° |
| C18 | C20 | N32 | H20 | 115.5° | 120.0° |
| C18 | C20 | N32 | H32 | 91.9° | 25.1° |
| C20 | C18 | H181 | H182 | 119.4° | 119.9° |
| C20 | C18 | C19 | H191 | 180.0° | 60.1° |
| C20 | C18 | C19 | H192 | 60.0° | 60.0° |
| C20 | C18 | C19 | H193 | 60.0° | 179.9° |
| C18 | C20 | C22 | H221 | 180.0° | 179.9° |
| C18 | C20 | C22 | H222 | 60.0° | 60.0° |
| C18 | C20 | C22 | H223 | 60.0° | 60.1° |
| C19 | C18 | C20 | C22 | 160.8° | 175.0° |
| C19 | C18 | C20 | N32 | 69.1° | 65.0° |
| C19 | C18 | H181 | H182 | 119.4° | 120.1° |
| C19 | C18 | C20 | H20 | 46.7° | 55.0° |
| C18 | C19 | H191 | H192 | 120.0° | 120.1° |
| C18 | C19 | H191 | H193 | 120.0° | 120.0° |
| C18 | C19 | H192 | H193 | 120.0° | 119.9° |
| C22 | C20 | N32 | H20 | 116.7° | 120.0° |
| C22 | C20 | N32 | H32 | 140.3° | 95.0° |
| C22 | C20 | C18 | H181 | 79.0° | 54.9° |
| C22 | C20 | C18 | H182 | 40.7° | 65.0° |
| C20 | C22 | H221 | H222 | 120.0° | 120.0° |
| C20 | C22 | H221 | H223 | 120.0° | 120.0° |
| C20 | C22 | H222 | H223 | 120.0° | 120.0° |
| N32 | C20 | C18 | H181 | 51.1° | 175.0° |
| N32 | C20 | C18 | H182 | 170.8° | 55.0° |
| N32 | C20 | C22 | H221 | 51.3° | 60.0° |
| N32 | C20 | C22 | H222 | 171.3° | 180.0° |
| N32 | C20 | C22 | H223 | 68.7° | 60.0° |
| C25 | C23 | O39 | H231 | 119.8° | 119.7° |
| C25 | C23 | O39 | H232 | 119.8° | 119.8° |
| C23 | C25 | C31 | O40 | 119.9° | 118.7° |
| C23 | C25 | C31 | H25 | 119.1° | 120.6° |
| C23 | C25 | O40 | H25 | 120.0° | 119.7° |
| C23 | C25 | C31 | C29 | 170.3° | 175.0° |
| C25 | C23 | H231 | H232 | 120.5° | 120.7° |
| C23 | C25 | C31 | H311 | 50.1° | 65.0° |
| C23 | C25 | C31 | H312 | 69.5° | 55.0° |
| O39 | C23 | C25 | C31 | 173.1° | 179.3° |
| O39 | C23 | C25 | O40 | 66.6° | 59.7° |
| O39 | C23 | H231 | H232 | 120.5° | 120.5° |
| O39 | C23 | C25 | H25 | 54.1° | 60.1° |
| C31 | C25 | O40 | H25 | 120.1° | 120.7° |
| C25 | C31 | C29 | H311 | 120.2° | 120.1° |
| C25 | C31 | C29 | H312 | 120.2° | 120.0° |
| C25 | C31 | C29 | H291 | 162.6° | 60.0° |
| C25 | C31 | C29 | H292 | 41.6° | 60.0° |
| C31 | C25 | C23 | H231 | 53.2° | 61.0° |
| C31 | C25 | C23 | H232 | 67.1° | 59.6° |
| C25 | C31 | H311 | H312 | 119.5° | 120.0° |
| O40 | C25 | C31 | C29 | 50.4° | 66.3° |
| O40 | C25 | C23 | H231 | 173.6° | 179.3° |
| O40 | C25 | C23 | H232 | 53.2° | 60.0° |
| O40 | C25 | C31 | H311 | 69.8° | 53.7° |
| O40 | C25 | C31 | H312 | 170.5° | 173.7° |
| C26 | N33 | C27 | C28 | 133.7° | 120.0° |
| C26 | N33 | C27 | H33 | 112.7° | 120.0° |
| C26 | N33 | C28 | H33 | 110.0° | 120.0° |
| N33 | C26 | H261 | H262 | 119.6° | 120.1° |
| C26 | N33 | C27 | H271 | 76.2° | 52.6° |
| C26 | N33 | C27 | H272 | 43.9° | 172.7° |
| C26 | N33 | C28 | H281 | 70.2° | 64.6° |
| C26 | N33 | C28 | H282 | 171.4° | 55.4° |
| C27 | N33 | C28 | H33 | 113.5° | 120.0° |
| C27 | N33 | C26 | H261 | 161.9° | 65.0° |
| C27 | N33 | C26 | H262 | 42.2° | 55.0° |
| N33 | C27 | H271 | H272 | 120.2° | 120.0° |
| C27 | N33 | C28 | H281 | 153.3° | 55.4° |
| C27 | N33 | C28 | H282 | 34.9° | 175.4° |
| C28 | N33 | C26 | H261 | 24.4° | 55.0° |
| C28 | N33 | C26 | H262 | 95.4° | 175.0° |
| C28 | N33 | C27 | H271 | 150.1° | 67.4° |
| C28 | N33 | C27 | H272 | 89.8° | 52.6° |
| N33 | C28 | C14 | H14 | 55.9° | 56.4° |
| N33 | C28 | H281 | H282 | 117.6° | 120.0° |
| C31 | C29 | H291 | H292 | 121.6° | 120.0° |
| C29 | C31 | C25 | H25 | 70.6° | 54.4° |
| C29 | C31 | H311 | H312 | 119.5° | 120.0° |
| H1 | C1 | C2 | H2 | 0.3° | 0.4° |
| H1 | C1 | C3 | H3 | 0.5° | 0.3° |
| H2 | C2 | C4 | H4 | 0.1° | 0.0° |
| H5 | C5 | C6 | H6 | 0.5° | 0.3° |
| H261 | C26 | N33 | H33 | 85.6° | 175.0° |
| H262 | C26 | N33 | H33 | 154.7° | 65.0° |
| H271 | C27 | N33 | H33 | 36.5° | 172.6° |
| H272 | C27 | N33 | H33 | 156.5° | 67.4° |
| H131 | C13 | C14 | H14 | 180.0° | 0.0° |
| H132 | C13 | C14 | H14 | 0.0° | 180.0° |
| H14 | C14 | C28 | H281 | 176.7° | 63.6° |
| H14 | C14 | C28 | H282 | 64.9° | 176.4° |
| H281 | C28 | N33 | H33 | 39.8° | 175.4° |
| H282 | C28 | N33 | H33 | 78.7° | 64.6° |
| H32 | N32 | C20 | H20 | 23.6° | 145.0° |
| H291 | C29 | C31 | H311 | 42.4° | 60.0° |
| H291 | C29 | C31 | H312 | 77.2° | 180.0° |
| H292 | C29 | C31 | H311 | 78.6° | 180.0° |
| H292 | C29 | C31 | H312 | 161.8° | 60.0° |
| H181 | C18 | C20 | H20 | 166.9° | 65.1° |
| H181 | C18 | C19 | H191 | 59.8° | 59.9° |
| H181 | C18 | C19 | H192 | 179.8° | 180.0° |
| H181 | C18 | C19 | H193 | 60.2° | 60.1° |
| H182 | C18 | C20 | H20 | 73.4° | 175.0° |
| H182 | C18 | C19 | H191 | 59.8° | 180.0° |
| H182 | C18 | C19 | H192 | 60.2° | 59.9° |
| H182 | C18 | C19 | H193 | 179.8° | 60.0° |
| H20 | C20 | C22 | H221 | 65.8° | 60.0° |
| H20 | C20 | C22 | H222 | 54.2° | 60.0° |
| H20 | C20 | C22 | H223 | 174.2° | 180.0° |
| H191 | C19 | H192 | H193 | 119.9° | 120.0° |
| H221 | C22 | H222 | H223 | 120.0° | 120.1° |
| H231 | C23 | C25 | H25 | 65.8° | 59.6° |
| H232 | C23 | C25 | H25 | 173.9° | 179.8° |
| H25 | C25 | C31 | H311 | 169.3° | 174.4° |
| H25 | C25 | C31 | H312 | 49.6° | 65.6° |
