X0P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.42Å | 1.38Å | Aromatic |
| C1 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C1 | C40 | sing | 1.41Å | 1.38Å | Aromatic |
| C2 | C4 | doub | 1.41Å | 1.38Å | Aromatic |
| C2 | C50 | sing | 1.41Å | 1.38Å | Aromatic |
| C3 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C14 | sing | 1.36Å | 1.38Å | Aromatic |
| C5 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C14 | doub | 1.41Å | 1.38Å | Aromatic |
| C11 | C19 | sing | 1.48Å | 1.47Å | |
| C12 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C20 | sing | 1.47Å | 1.49Å | |
| C13 | C25 | sing | 1.51Å | 1.50Å | |
| C14 | C26 | sing | 1.51Å | 1.49Å | |
| C15 | C27 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | O6 | sing | 1.36Å | 1.39Å | |
| C18 | O8 | sing | 1.36Å | 1.39Å | |
| C19 | N1 | sing | 1.35Å | 1.37Å | |
| C19 | O3 | doub | 1.21Å | 1.22Å | |
| C20 | O1 | sing | 1.35Å | 1.26Å | |
| C20 | O4 | doub | 1.22Å | 1.26Å | |
| C21 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C40 | doub | 1.36Å | 1.38Å | Aromatic |
| C22 | O6 | sing | 1.43Å | 1.42Å | |
| C24 | O8 | sing | 1.43Å | 1.42Å | |
| C25 | N1 | sing | 1.46Å | 1.44Å | |
| C26 | N2 | sing | 1.47Å | 1.49Å | |
| C27 | N2 | sing | 1.47Å | 1.50Å | |
| C28 | N2 | sing | 1.47Å | 1.49Å | |
| C29 | C50 | doub | 1.36Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C50 | H50 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| 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 | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| O1 | HA | sing | 0.97Å | 0.95Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 120.2° | 119.5° |
| C2 | C1 | C40 | 120.0° | 119.4° |
| C1 | C2 | C4 | 120.0° | 119.7° |
| C1 | C2 | C50 | 119.8° | 119.2° |
| C3 | C1 | C40 | 119.8° | 121.2° |
| C1 | C3 | C11 | 119.3° | 119.4° |
| C1 | C3 | H3 | 120.4° | 120.3° |
| C1 | C40 | C21 | 120.1° | 119.7° |
| C1 | C40 | H40 | 120.0° | 120.1° |
| C4 | C2 | C50 | 120.2° | 121.0° |
| C2 | C4 | C14 | 120.4° | 120.0° |
| C2 | C4 | H4 | 119.8° | 120.0° |
| C2 | C50 | C29 | 120.2° | 119.8° |
| C2 | C50 | H50 | 119.9° | 120.1° |
| C3 | C11 | C14 | 121.2° | 120.5° |
| C3 | C11 | C19 | 118.1° | 119.7° |
| C11 | C3 | H3 | 120.4° | 120.3° |
| C4 | C14 | C11 | 118.9° | 120.9° |
| C4 | C14 | C26 | 119.7° | 119.6° |
| C14 | C4 | H4 | 119.8° | 120.0° |
| C8 | C5 | C15 | 120.7° | 120.3° |
| C5 | C8 | C16 | 119.7° | 120.4° |
| C8 | C5 | H5 | 119.7° | 119.8° |
| C5 | C8 | H8 | 120.1° | 119.8° |
| C5 | C15 | C12 | 120.1° | 119.9° |
| C5 | C15 | C27 | 117.6° | 120.1° |
| C15 | C5 | H5 | 119.7° | 119.8° |
| C9 | C6 | C13 | 120.1° | 120.1° |
| C6 | C9 | C18 | 120.0° | 119.9° |
| C9 | C6 | H6 | 120.0° | 119.9° |
| C6 | C9 | H9 | 120.0° | 120.1° |
| C6 | C13 | C7 | 119.6° | 120.1° |
| C6 | C13 | C25 | 119.4° | 119.9° |
| C13 | C6 | H6 | 119.9° | 120.0° |
| C10 | C7 | C13 | 120.7° | 120.0° |
| C7 | C10 | C18 | 119.3° | 120.0° |
| C10 | C7 | H7 | 119.7° | 120.0° |
| C7 | C10 | H10 | 120.3° | 120.0° |
| C7 | C13 | C25 | 121.0° | 120.0° |
| C13 | C7 | H7 | 119.7° | 120.0° |
| C8 | C16 | C17 | 119.8° | 120.1° |
| C16 | C8 | H8 | 120.1° | 119.8° |
| C8 | C16 | H16 | 120.1° | 119.9° |
| C9 | C18 | C10 | 120.3° | 119.9° |
| C9 | C18 | O8 | 116.5° | 120.0° |
| C18 | C9 | H9 | 120.0° | 120.0° |
| C10 | C18 | O8 | 123.2° | 120.1° |
| C18 | C10 | H10 | 120.4° | 120.0° |
| C14 | C11 | C19 | 120.7° | 119.7° |
| C11 | C14 | C26 | 121.4° | 119.6° |
| C11 | C19 | N1 | 113.5° | 120.0° |
| C11 | C19 | O3 | 120.4° | 120.0° |
| C15 | C12 | C17 | 118.7° | 119.7° |
| C15 | C12 | C20 | 121.7° | 120.2° |
| C12 | C15 | C27 | 122.3° | 120.1° |
| C17 | C12 | C20 | 119.6° | 120.1° |
| C12 | C17 | C16 | 121.1° | 119.7° |
| C12 | C17 | O6 | 118.0° | 120.2° |
| C12 | C20 | O1 | 119.4° | 120.0° |
| C12 | C20 | O4 | 116.1° | 120.0° |
| C13 | C25 | N1 | 112.1° | 109.5° |
| C13 | C25 | H251 | 108.8° | 109.4° |
| C13 | C25 | H252 | 108.8° | 109.5° |
| C14 | C26 | N2 | 115.3° | 109.5° |
| C14 | C26 | H261 | 108.0° | 109.4° |
| C14 | C26 | H262 | 108.0° | 109.5° |
| C15 | C27 | N2 | 109.6° | 109.5° |
| C15 | C27 | H271 | 109.5° | 109.4° |
| C15 | C27 | H272 | 109.5° | 109.5° |
| C16 | C17 | O6 | 121.0° | 120.1° |
| C17 | C16 | H16 | 120.1° | 120.0° |
| C17 | O6 | C22 | 110.3° | 117.0° |
| C18 | O8 | C24 | 110.9° | 117.0° |
| N1 | C19 | O3 | 126.2° | 120.0° |
| C19 | N1 | C25 | 121.4° | 120.0° |
| C19 | N1 | H1 | 119.3° | 120.0° |
| O1 | C20 | O4 | 124.4° | 120.0° |
| C20 | O1 | HA | 109.5° | 117.0° |
| C29 | C21 | C40 | 120.0° | 121.0° |
| C21 | C29 | C50 | 119.9° | 121.0° |
| C29 | C21 | H21 | 120.0° | 119.5° |
| C21 | C29 | H29 | 120.0° | 119.5° |
| C21 | C40 | H40 | 120.0° | 120.2° |
| C40 | C21 | H21 | 120.0° | 119.5° |
| O6 | C22 | H221 | 109.5° | 109.4° |
| O6 | C22 | H222 | 109.5° | 109.5° |
| O6 | C22 | H223 | 109.5° | 109.5° |
| O8 | C24 | H241 | 109.5° | 109.4° |
| O8 | C24 | H242 | 109.5° | 109.4° |
| O8 | C24 | H243 | 109.5° | 109.5° |
| N1 | C25 | H251 | 108.8° | 109.4° |
| N1 | C25 | H252 | 108.8° | 109.5° |
| C25 | N1 | H1 | 119.4° | 120.0° |
| C26 | N2 | C27 | 116.4° | 111.0° |
| C26 | N2 | C28 | 108.2° | 111.0° |
| N2 | C26 | H261 | 108.0° | 109.5° |
| N2 | C26 | H262 | 108.0° | 109.5° |
| C27 | N2 | C28 | 114.6° | 111.0° |
| N2 | C27 | H271 | 109.5° | 109.5° |
| N2 | C27 | H272 | 109.5° | 109.5° |
| N2 | C28 | H281 | 109.5° | 109.4° |
| N2 | C28 | H282 | 109.5° | 109.4° |
| N2 | C28 | H283 | 109.5° | 109.4° |
| C29 | C50 | H50 | 119.9° | 120.1° |
| C50 | C29 | H29 | 120.1° | 119.6° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.4° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H221 | C22 | H223 | 109.5° | 109.4° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C40 | 180.0° | 179.8° |
| C1 | C2 | C4 | C50 | 179.9° | 180.0° |
| C2 | C1 | C3 | C11 | 0.0° | 0.0° |
| C1 | C2 | C4 | C14 | 0.0° | 0.0° |
| C2 | C1 | C40 | C21 | 0.3° | 0.1° |
| C1 | C2 | C50 | C29 | 0.3° | 0.0° |
| C2 | C1 | C3 | H3 | 180.0° | 179.9° |
| C2 | C1 | C40 | H40 | 179.7° | 179.9° |
| C1 | C2 | C4 | H4 | 180.0° | 179.9° |
| C1 | C2 | C50 | H50 | 179.7° | 180.0° |
| C3 | C1 | C2 | C4 | 0.1° | 0.0° |
| C3 | C1 | C2 | C50 | 180.0° | 180.0° |
| C1 | C3 | C11 | H3 | 180.0° | 179.9° |
| C1 | C3 | C11 | C14 | 0.2° | 0.1° |
| C1 | C3 | C11 | C19 | 180.0° | 180.0° |
| C3 | C1 | C40 | C21 | 179.8° | 179.7° |
| C3 | C1 | C40 | H40 | 0.2° | 0.2° |
| C40 | C1 | C2 | C4 | 179.9° | 179.8° |
| C40 | C1 | C2 | C50 | 0.0° | 0.2° |
| C40 | C1 | C3 | C11 | 180.0° | 179.8° |
| C1 | C40 | C21 | C29 | 0.2° | 0.6° |
| C1 | C40 | C21 | H40 | 180.0° | 179.8° |
| C40 | C1 | C3 | H3 | 0.0° | 0.3° |
| C1 | C40 | C21 | H21 | 179.8° | 179.7° |
| C2 | C4 | C14 | H4 | 180.0° | 179.9° |
| C2 | C4 | C14 | C11 | 0.2° | 0.1° |
| C2 | C4 | C14 | C26 | 179.9° | 180.0° |
| C4 | C2 | C50 | C29 | 179.6° | 180.0° |
| C4 | C2 | C50 | H50 | 0.4° | 0.1° |
| C50 | C2 | C4 | C14 | 179.9° | 179.9° |
| C2 | C50 | C29 | C21 | 0.4° | 0.5° |
| C2 | C50 | C29 | H50 | 180.0° | 180.0° |
| C50 | C2 | C4 | H4 | 0.1° | 0.0° |
| C2 | C50 | C29 | H29 | 179.6° | 179.7° |
| C3 | C11 | C14 | C4 | 0.4° | 0.1° |
| C3 | C11 | C14 | C19 | 179.8° | 179.9° |
| C3 | C11 | C14 | C26 | 180.0° | 180.0° |
| C3 | C11 | C19 | N1 | 48.1° | 0.1° |
| C3 | C11 | C19 | O3 | 132.3° | 180.0° |
| C4 | C14 | C11 | C26 | 179.7° | 179.9° |
| C4 | C14 | C11 | C19 | 179.9° | 180.0° |
| C4 | C14 | C26 | N2 | 82.5° | 100.0° |
| C4 | C14 | C26 | H261 | 38.3° | 20.0° |
| C4 | C14 | C26 | H262 | 156.7° | 140.0° |
| C8 | C5 | C15 | H5 | 180.0° | 179.7° |
| C5 | C8 | C16 | H8 | 180.0° | 180.0° |
| C8 | C5 | C15 | C12 | 0.3° | 0.0° |
| C8 | C5 | C15 | C27 | 179.3° | 180.0° |
| C5 | C8 | C16 | C17 | 0.3° | 0.0° |
| C5 | C8 | C16 | H16 | 179.7° | 180.0° |
| C15 | C5 | C8 | C16 | 0.4° | 0.0° |
| C5 | C15 | C12 | C27 | 178.9° | 180.0° |
| C5 | C15 | C12 | C17 | 0.1° | 0.0° |
| C5 | C15 | C12 | C20 | 179.5° | 180.0° |
| C5 | C15 | C27 | N2 | 103.8° | 104.6° |
| C15 | C5 | C8 | H8 | 179.6° | 180.0° |
| C5 | C15 | C27 | H271 | 136.2° | 135.4° |
| C5 | C15 | C27 | H272 | 16.3° | 15.4° |
| C9 | C6 | C13 | H6 | 180.0° | 179.7° |
| C9 | C6 | C13 | C7 | 0.0° | 0.1° |
| C6 | C9 | C18 | H9 | 180.0° | 180.0° |
| C6 | C9 | C18 | C10 | 0.3° | 0.0° |
| C9 | C6 | C13 | C25 | 179.8° | 180.0° |
| C6 | C9 | C18 | O8 | 179.8° | 179.9° |
| C6 | C13 | C7 | C10 | 0.1° | 0.1° |
| C6 | C13 | C7 | C25 | 179.7° | 179.9° |
| C13 | C6 | C9 | C18 | 0.1° | 0.0° |
| C6 | C13 | C25 | N1 | 123.4° | 90.1° |
| C13 | C6 | C9 | H9 | 179.9° | 180.0° |
| C6 | C13 | C7 | H7 | 179.9° | 180.0° |
| C6 | C13 | C25 | H251 | 116.2° | 150.0° |
| C6 | C13 | C25 | H252 | 3.1° | 30.0° |
| C10 | C7 | C13 | H7 | 180.0° | 179.9° |
| C7 | C10 | C18 | C9 | 0.4° | 0.0° |
| C7 | C10 | C18 | H10 | 180.0° | 180.0° |
| C10 | C7 | C13 | C25 | 179.9° | 180.0° |
| C7 | C10 | C18 | O8 | 179.8° | 179.9° |
| C13 | C7 | C10 | C18 | 0.3° | 0.1° |
| C7 | C13 | C25 | N1 | 56.8° | 90.0° |
| C7 | C13 | C6 | H6 | 180.0° | 179.6° |
| C13 | C7 | C10 | H10 | 179.7° | 180.0° |
| C7 | C13 | C25 | H251 | 63.6° | 29.9° |
| C7 | C13 | C25 | H252 | 177.2° | 149.9° |
| C8 | C16 | C17 | C12 | 0.1° | 0.0° |
| C8 | C16 | C17 | H16 | 180.0° | 180.0° |
| C8 | C16 | C17 | O6 | 179.5° | 180.0° |
| C16 | C8 | C5 | H5 | 179.7° | 179.7° |
| C9 | C18 | C10 | O8 | 179.4° | 179.9° |
| C9 | C18 | O8 | C24 | 171.4° | 180.0° |
| C18 | C9 | C6 | H6 | 179.9° | 179.7° |
| C9 | C18 | C10 | H10 | 179.6° | 180.0° |
| C10 | C18 | O8 | C24 | 9.2° | 0.1° |
| C10 | C18 | C9 | H9 | 179.7° | 180.0° |
| C18 | C10 | C7 | H7 | 179.7° | 179.9° |
| C14 | C11 | C19 | N1 | 131.7° | 180.0° |
| C14 | C11 | C19 | O3 | 47.9° | 0.1° |
| C11 | C14 | C26 | N2 | 97.9° | 80.1° |
| C14 | C11 | C3 | H3 | 179.8° | 180.0° |
| C11 | C14 | C4 | H4 | 179.7° | 180.0° |
| C11 | C14 | C26 | H261 | 141.3° | 160.0° |
| C11 | C14 | C26 | H262 | 23.0° | 39.9° |
| C19 | C11 | C14 | C26 | 0.2° | 0.1° |
| C11 | C19 | N1 | O3 | 179.6° | 180.0° |
| C11 | C19 | N1 | C25 | 176.6° | 180.0° |
| C19 | C11 | C3 | H3 | 0.0° | 0.1° |
| C11 | C19 | N1 | H1 | 3.4° | 0.0° |
| C15 | C12 | C17 | C20 | 179.4° | 180.0° |
| C15 | C12 | C17 | C16 | 0.1° | 0.0° |
| C15 | C12 | C17 | O6 | 179.5° | 180.0° |
| C15 | C12 | C20 | O1 | 34.9° | 84.5° |
| C15 | C12 | C20 | O4 | 142.6° | 95.4° |
| C12 | C15 | C27 | N2 | 75.2° | 75.4° |
| C12 | C15 | C5 | H5 | 179.7° | 179.7° |
| C12 | C15 | C27 | H271 | 44.8° | 44.6° |
| C12 | C15 | C27 | H272 | 164.8° | 164.6° |
| C17 | C12 | C15 | C27 | 179.1° | 180.0° |
| C12 | C17 | C16 | O6 | 179.4° | 180.0° |
| C17 | C12 | C20 | O1 | 145.8° | 95.5° |
| C17 | C12 | C20 | O4 | 36.7° | 84.6° |
| C12 | C17 | O6 | C22 | 168.5° | 180.0° |
| C12 | C17 | C16 | H16 | 179.8° | 180.0° |
| C20 | C12 | C15 | C27 | 1.5° | 0.0° |
| C20 | C12 | C17 | C16 | 179.4° | 180.0° |
| C20 | C12 | C17 | O6 | 1.2° | 0.0° |
| C12 | C20 | O1 | O4 | 177.3° | 179.9° |
| C12 | C20 | O1 | HA | 177.2° | 180.0° |
| C13 | C25 | N1 | C19 | 94.7° | 180.0° |
| C13 | C25 | N1 | H251 | 120.4° | 119.9° |
| C13 | C25 | N1 | H252 | 120.4° | 120.0° |
| C25 | C13 | C6 | H6 | 0.3° | 0.3° |
| C25 | C13 | C7 | H7 | 0.1° | 0.1° |
| C13 | C25 | H251 | H252 | 118.8° | 120.0° |
| C13 | C25 | N1 | H1 | 85.4° | 0.0° |
| C14 | C26 | N2 | H261 | 120.8° | 119.9° |
| C14 | C26 | N2 | H262 | 120.8° | 120.0° |
| C14 | C26 | N2 | C27 | 68.1° | 170.0° |
| C14 | C26 | N2 | C28 | 161.2° | 66.0° |
| C26 | C14 | C4 | H4 | 0.1° | 0.1° |
| C14 | C26 | H261 | H262 | 117.4° | 120.0° |
| C15 | C27 | N2 | C26 | 173.6° | 175.6° |
| C15 | C27 | N2 | H271 | 120.0° | 120.0° |
| C15 | C27 | N2 | H272 | 120.0° | 120.0° |
| C15 | C27 | N2 | C28 | 45.9° | 60.5° |
| C27 | C15 | C5 | H5 | 0.7° | 0.3° |
| C15 | C27 | H271 | H272 | 120.0° | 120.0° |
| C16 | C17 | O6 | C22 | 10.9° | 0.0° |
| C17 | C16 | C8 | H8 | 179.7° | 180.0° |
| O6 | C17 | C16 | H16 | 0.4° | 0.1° |
| C17 | O6 | C22 | H221 | 180.0° | 180.0° |
| C17 | O6 | C22 | H222 | 60.0° | 60.1° |
| C17 | O6 | C22 | H223 | 60.0° | 60.0° |
| O8 | C18 | C9 | H9 | 0.2° | 0.0° |
| O8 | C18 | C10 | H10 | 0.2° | 0.1° |
| C18 | O8 | C24 | H241 | 180.0° | 60.1° |
| C18 | O8 | C24 | H242 | 60.0° | 180.0° |
| C18 | O8 | C24 | H243 | 60.0° | 59.9° |
| C19 | N1 | C25 | H1 | 180.0° | 180.0° |
| C19 | N1 | C25 | H251 | 144.9° | 60.1° |
| C19 | N1 | C25 | H252 | 25.7° | 60.0° |
| O3 | C19 | N1 | C25 | 3.0° | 0.0° |
| O3 | C19 | N1 | H1 | 177.0° | 180.0° |
| O4 | C20 | O1 | HA | 0.0° | 0.1° |
| C29 | C21 | C40 | H21 | 180.0° | 179.1° |
| C21 | C29 | C50 | H29 | 180.0° | 179.2° |
| C29 | C21 | C40 | H40 | 179.8° | 179.6° |
| C21 | C29 | C50 | H50 | 179.7° | 179.5° |
| C40 | C21 | C29 | C50 | 0.1° | 0.8° |
| C40 | C21 | C29 | H29 | 179.9° | 180.0° |
| O6 | C22 | H221 | H222 | 120.0° | 120.0° |
| O6 | C22 | H221 | H223 | 120.0° | 120.0° |
| O6 | C22 | H222 | H223 | 120.0° | 120.1° |
| O8 | C24 | H241 | H242 | 120.0° | 119.9° |
| O8 | C24 | H241 | H243 | 120.0° | 120.0° |
| O8 | C24 | H242 | H243 | 120.0° | 120.0° |
| N1 | C25 | H251 | H252 | 118.7° | 120.0° |
| C26 | N2 | C27 | C28 | 127.7° | 123.9° |
| N2 | C26 | H261 | H262 | 117.4° | 120.0° |
| C26 | N2 | C27 | H271 | 66.4° | 55.6° |
| C26 | N2 | C27 | H272 | 53.5° | 64.4° |
| C26 | N2 | C28 | H281 | 180.0° | 63.7° |
| C26 | N2 | C28 | H282 | 60.0° | 176.2° |
| C26 | N2 | C28 | H283 | 60.0° | 56.3° |
| C27 | N2 | C26 | H261 | 171.1° | 70.0° |
| C27 | N2 | C26 | H262 | 52.8° | 50.0° |
| N2 | C27 | H271 | H272 | 120.0° | 120.0° |
| C27 | N2 | C28 | H281 | 48.3° | 60.2° |
| C27 | N2 | C28 | H282 | 168.3° | 59.8° |
| C27 | N2 | C28 | H283 | 71.7° | 179.8° |
| C28 | N2 | C26 | H261 | 40.4° | 53.9° |
| C28 | N2 | C26 | H262 | 77.9° | 174.0° |
| C28 | N2 | C27 | H271 | 165.9° | 179.6° |
| C28 | N2 | C27 | H272 | 74.1° | 59.5° |
| N2 | C28 | H281 | H282 | 120.0° | 120.0° |
| N2 | C28 | H281 | H283 | 120.0° | 120.0° |
| N2 | C28 | H282 | H283 | 120.0° | 119.9° |
| C50 | C29 | C21 | H21 | 179.9° | 179.9° |
| H40 | C40 | C21 | H21 | 0.2° | 0.5° |
| H50 | C50 | C29 | H29 | 0.3° | 0.3° |
| H5 | C5 | C8 | H8 | 0.4° | 0.3° |
| H8 | C8 | C16 | H16 | 0.3° | 0.0° |
| H6 | C6 | C9 | H9 | 0.1° | 0.3° |
| H7 | C7 | C10 | H10 | 0.3° | 0.1° |
| H251 | C25 | N1 | H1 | 35.1° | 120.0° |
| H252 | C25 | N1 | H1 | 154.2° | 120.0° |
| H21 | C21 | C29 | H29 | 0.1° | 0.9° |
| H221 | C22 | H222 | H223 | 120.0° | 119.9° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
| H281 | C28 | H282 | H283 | 120.0° | 120.1° |
