Q3B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.42Å | |
| O2 | C3 | sing | 1.36Å | 1.39Å | |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | N9 | sing | 1.40Å | 1.41Å | |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| N9 | C10 | sing | 1.35Å | 1.38Å | |
| C10 | O11 | doub | 1.22Å | 1.22Å | |
| C10 | N12 | sing | 1.35Å | 1.38Å | |
| N12 | C13 | sing | 1.40Å | 1.41Å | |
| C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C19 | sing | 1.48Å | 1.45Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | N23 | sing | 1.34Å | 1.37Å | Aromatic |
| C20 | N21 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C30 | sing | 1.47Å | 1.43Å | |
| N21 | C22 | sing | 1.35Å | 1.36Å | Aromatic |
| N21 | C24 | sing | 1.47Å | 1.46Å | |
| C22 | N23 | doub | 1.30Å | 1.31Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C25 | C26 | sing | 1.54Å | 1.51Å | |
| C25 | O29 | sing | 1.44Å | 1.42Å | |
| C26 | C27 | sing | 1.55Å | 1.50Å | |
| C27 | C28 | sing | 1.54Å | 1.51Å | |
| C28 | O29 | sing | 1.44Å | 1.43Å | |
| C30 | N31 | doub | 1.29Å | 1.32Å | Aromatic |
| C30 | S38 | sing | 1.76Å | 1.72Å | Aromatic |
| N31 | C32 | sing | 1.34Å | 1.37Å | Aromatic |
| C32 | C33 | doub | 1.42Å | 1.39Å | Aromatic |
| C32 | C37 | sing | 1.40Å | 1.38Å | Aromatic |
| C33 | N34 | sing | 1.32Å | 1.34Å | Aromatic |
| C33 | N39 | sing | 1.38Å | 1.40Å | |
| N34 | C35 | doub | 1.32Å | 1.34Å | Aromatic |
| C35 | N36 | sing | 1.32Å | 1.34Å | Aromatic |
| N36 | C37 | doub | 1.33Å | 1.33Å | Aromatic |
| C37 | S38 | sing | 1.76Å | 1.71Å | Aromatic |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N9 | H9 | sing | 0.97Å | 1.00Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | 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 | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| N39 | H391 | sing | 0.97Å | 1.00Å | |
| N39 | H392 | sing | 0.97Å | 1.00Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 110.0° | 117.0° |
| O2 | C1 | H11C | 109.5° | 109.5° |
| O2 | C1 | H12C | 109.5° | 109.5° |
| O2 | C1 | H13C | 109.4° | 109.4° |
| O2 | C3 | C4 | 116.2° | 120.0° |
| O2 | C3 | C8 | 123.2° | 120.0° |
| C4 | C3 | C8 | 120.6° | 120.0° |
| C3 | C4 | C5 | 119.4° | 120.0° |
| C3 | C4 | H4 | 120.3° | 120.0° |
| C3 | C8 | C7 | 119.7° | 120.0° |
| C3 | C8 | H8 | 120.2° | 120.0° |
| C4 | C5 | C6 | 120.4° | 120.0° |
| C5 | C4 | H4 | 120.3° | 120.0° |
| C4 | C5 | H5 | 119.8° | 120.0° |
| C5 | C6 | C7 | 120.0° | 120.0° |
| C5 | C6 | N9 | 118.0° | 120.0° |
| C6 | C5 | H5 | 119.8° | 120.0° |
| C7 | C6 | N9 | 121.9° | 120.0° |
| C6 | C7 | C8 | 119.9° | 120.0° |
| C6 | C7 | H7 | 120.1° | 120.0° |
| C6 | N9 | C10 | 125.5° | 120.0° |
| C6 | N9 | H9 | 117.2° | 120.0° |
| C7 | C8 | H8 | 120.2° | 120.0° |
| C8 | C7 | H7 | 120.0° | 120.0° |
| N9 | C10 | O11 | 124.8° | 120.0° |
| N9 | C10 | N12 | 110.7° | 120.0° |
| C10 | N9 | H9 | 117.2° | 120.0° |
| O11 | C10 | N12 | 124.5° | 120.0° |
| C10 | N12 | C13 | 126.1° | 120.0° |
| C10 | N12 | H12 | 117.0° | 120.0° |
| N12 | C13 | C14 | 119.6° | 120.0° |
| N12 | C13 | C18 | 121.2° | 120.0° |
| C13 | N12 | H12 | 117.0° | 120.0° |
| C14 | C13 | C18 | 119.1° | 119.9° |
| C13 | C14 | C15 | 120.1° | 120.3° |
| C13 | C14 | H14 | 119.9° | 119.9° |
| C13 | C18 | C17 | 121.5° | 119.8° |
| C13 | C18 | H18 | 119.3° | 120.0° |
| C14 | C15 | C16 | 120.4° | 120.2° |
| C15 | C14 | H14 | 120.0° | 119.9° |
| C14 | C15 | H15 | 119.8° | 119.9° |
| C15 | C16 | C17 | 120.2° | 120.0° |
| C16 | C15 | H15 | 119.8° | 119.9° |
| C15 | C16 | H16 | 119.9° | 120.0° |
| C16 | C17 | C18 | 118.8° | 119.8° |
| C16 | C17 | C19 | 122.8° | 120.1° |
| C17 | C16 | H16 | 119.9° | 120.0° |
| C18 | C17 | C19 | 118.4° | 120.1° |
| C17 | C18 | H18 | 119.3° | 120.1° |
| C17 | C19 | C20 | 130.8° | 126.3° |
| C17 | C19 | N23 | 118.7° | 126.4° |
| C20 | C19 | N23 | 110.4° | 107.3° |
| C19 | C20 | N21 | 104.0° | 106.1° |
| C19 | C20 | C30 | 134.3° | 127.0° |
| C19 | N23 | C22 | 106.0° | 109.6° |
| N21 | C20 | C30 | 121.6° | 126.9° |
| C20 | N21 | C22 | 108.3° | 107.3° |
| C20 | N21 | C24 | 131.2° | 126.3° |
| C20 | C30 | N31 | 123.5° | 124.8° |
| C20 | C30 | S38 | 120.6° | 124.9° |
| C22 | N21 | C24 | 120.0° | 126.4° |
| N21 | C22 | N23 | 111.2° | 109.7° |
| N21 | C22 | H22 | 124.4° | 125.2° |
| N21 | C24 | C25 | 118.7° | 109.5° |
| N21 | C24 | H241 | 107.1° | 109.4° |
| N21 | C24 | H242 | 107.1° | 109.4° |
| N23 | C22 | H22 | 124.4° | 125.2° |
| C24 | C25 | C26 | 109.0° | 110.4° |
| C24 | C25 | O29 | 110.5° | 110.4° |
| C25 | C24 | H241 | 107.1° | 109.5° |
| C25 | C24 | H242 | 107.1° | 109.5° |
| C24 | C25 | H25 | 109.2° | 110.3° |
| C26 | C25 | O29 | 108.3° | 104.8° |
| C25 | C26 | C27 | 105.6° | 104.0° |
| C26 | C25 | H25 | 109.3° | 110.4° |
| C25 | C26 | H261 | 110.4° | 110.5° |
| C25 | C26 | H262 | 110.4° | 110.5° |
| C25 | O29 | C28 | 108.4° | 105.3° |
| O29 | C25 | H25 | 110.5° | 110.4° |
| C26 | C27 | C28 | 105.1° | 104.1° |
| C27 | C26 | H261 | 110.4° | 110.5° |
| C27 | C26 | H262 | 110.4° | 110.5° |
| C26 | C27 | H271 | 110.6° | 110.5° |
| C26 | C27 | H272 | 110.6° | 110.5° |
| C27 | C28 | O29 | 107.6° | 104.8° |
| C28 | C27 | H271 | 110.6° | 110.5° |
| C28 | C27 | H272 | 110.6° | 110.6° |
| C27 | C28 | H281 | 109.9° | 110.4° |
| C27 | C28 | H282 | 109.9° | 110.4° |
| O29 | C28 | H281 | 109.9° | 110.4° |
| O29 | C28 | H282 | 109.9° | 110.3° |
| N31 | C30 | S38 | 115.7° | 110.3° |
| C30 | N31 | C32 | 110.5° | 117.8° |
| C30 | S38 | C37 | 88.8° | 90.4° |
| N31 | C32 | C33 | 128.8° | 129.9° |
| N31 | C32 | C37 | 114.2° | 113.1° |
| C33 | C32 | C37 | 117.0° | 117.0° |
| C32 | C33 | N34 | 118.3° | 119.0° |
| C32 | C33 | N39 | 122.1° | 120.5° |
| C32 | C37 | N36 | 126.7° | 119.7° |
| C32 | C37 | S38 | 110.8° | 108.4° |
| N34 | C33 | N39 | 119.6° | 120.5° |
| C33 | N34 | C35 | 118.4° | 121.4° |
| C33 | N39 | H391 | 109.5° | 120.1° |
| C33 | N39 | H392 | 109.5° | 120.0° |
| N34 | C35 | N36 | 128.9° | 121.9° |
| N34 | C35 | H35 | 115.6° | 119.0° |
| C35 | N36 | C37 | 110.6° | 120.9° |
| N36 | C35 | H35 | 115.5° | 119.0° |
| N36 | C37 | S38 | 122.4° | 131.9° |
| H11C | C1 | H12C | 109.4° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.4° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 110.6° |
| H271 | C27 | H272 | 109.4° | 110.6° |
| H281 | C28 | H282 | 109.5° | 110.4° |
| H391 | N39 | H392 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | C4 | 172.5° | 180.0° |
| C1 | O2 | C3 | C8 | 8.6° | 0.2° |
| O2 | C1 | H11C | H12C | 120.0° | 120.0° |
| O2 | C1 | H11C | H13C | 120.0° | 119.9° |
| O2 | C1 | H12C | H13C | 120.0° | 119.9° |
| O2 | C3 | C4 | C8 | 178.9° | 179.8° |
| O2 | C3 | C4 | C5 | 179.4° | 180.0° |
| O2 | C3 | C8 | C7 | 179.2° | 179.8° |
| C3 | O2 | C1 | H11C | 180.0° | 59.9° |
| C3 | O2 | C1 | H12C | 60.0° | 180.0° |
| C3 | O2 | C1 | H13C | 60.0° | 60.1° |
| O2 | C3 | C4 | H4 | 0.6° | 0.0° |
| O2 | C3 | C8 | H8 | 0.8° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C4 | C3 | C8 | C7 | 0.3° | 0.5° |
| C4 | C3 | C8 | H8 | 179.7° | 179.7° |
| C3 | C4 | C5 | H5 | 179.6° | 180.0° |
| C8 | C3 | C4 | C5 | 0.5° | 0.2° |
| C3 | C8 | C7 | C6 | 0.7° | 0.5° |
| C3 | C8 | C7 | H8 | 180.0° | 179.8° |
| C8 | C3 | C4 | H4 | 179.5° | 179.8° |
| C3 | C8 | C7 | H7 | 179.3° | 179.8° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 1.4° | 0.0° |
| C4 | C5 | C6 | N9 | 179.6° | 180.0° |
| C5 | C6 | C7 | N9 | 178.2° | 180.0° |
| C5 | C6 | C7 | C8 | 1.5° | 0.2° |
| C5 | C6 | N9 | C10 | 133.6° | 33.3° |
| C6 | C5 | C4 | H4 | 179.6° | 179.9° |
| C5 | C6 | C7 | H7 | 178.5° | 180.0° |
| C5 | C6 | N9 | H9 | 46.4° | 146.6° |
| C6 | C7 | C8 | H7 | 180.0° | 179.8° |
| C7 | C6 | N9 | C10 | 48.2° | 146.7° |
| C6 | C7 | C8 | H8 | 179.3° | 179.7° |
| C7 | C6 | C5 | H5 | 178.6° | 180.0° |
| C7 | C6 | N9 | H9 | 131.8° | 33.4° |
| N9 | C6 | C7 | C8 | 179.7° | 179.8° |
| C6 | N9 | C10 | H9 | 180.0° | 179.9° |
| C6 | N9 | C10 | O11 | 4.4° | 5.2° |
| C6 | N9 | C10 | N12 | 176.0° | 174.9° |
| N9 | C6 | C5 | H5 | 0.4° | 0.0° |
| N9 | C6 | C7 | H7 | 0.3° | 0.0° |
| N9 | C10 | O11 | N12 | 179.5° | 179.9° |
| N9 | C10 | N12 | C13 | 170.8° | 175.4° |
| N9 | C10 | N12 | H12 | 9.3° | 4.7° |
| O11 | C10 | N12 | C13 | 9.7° | 4.5° |
| O11 | C10 | N9 | H9 | 175.6° | 174.9° |
| O11 | C10 | N12 | H12 | 170.3° | 175.4° |
| C10 | N12 | C13 | H12 | 180.0° | 179.9° |
| C10 | N12 | C13 | C14 | 114.3° | 144.5° |
| C10 | N12 | C13 | C18 | 68.8° | 35.7° |
| N12 | C10 | N9 | H9 | 3.9° | 5.0° |
| N12 | C13 | C14 | C18 | 177.0° | 179.8° |
| N12 | C13 | C14 | C15 | 178.3° | 180.0° |
| N12 | C13 | C18 | C17 | 178.1° | 179.7° |
| N12 | C13 | C14 | H14 | 1.7° | 0.1° |
| N12 | C13 | C18 | H18 | 1.9° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.2° | 0.1° |
| C14 | C13 | C18 | C17 | 1.1° | 0.5° |
| C14 | C13 | N12 | H12 | 65.7° | 35.6° |
| C14 | C13 | C18 | H18 | 178.9° | 179.7° |
| C13 | C14 | C15 | H15 | 179.8° | 180.0° |
| C18 | C13 | C14 | C15 | 1.3° | 0.2° |
| C13 | C18 | C17 | C16 | 0.1° | 0.6° |
| C13 | C18 | C17 | H18 | 180.0° | 179.7° |
| C13 | C18 | C17 | C19 | 179.6° | 179.7° |
| C18 | C13 | N12 | H12 | 111.2° | 144.2° |
| C18 | C13 | C14 | H14 | 178.7° | 179.7° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 1.1° | 0.0° |
| C14 | C15 | C16 | H16 | 178.9° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.2° | 0.3° |
| C15 | C16 | C17 | C19 | 179.4° | 180.0° |
| C16 | C15 | C14 | H14 | 179.8° | 180.0° |
| C16 | C17 | C18 | C19 | 179.4° | 179.7° |
| C16 | C17 | C19 | C20 | 17.2° | 43.9° |
| C16 | C17 | C19 | N23 | 159.9° | 136.4° |
| C16 | C17 | C18 | H18 | 179.9° | 179.7° |
| C17 | C16 | C15 | H15 | 178.9° | 179.9° |
| C18 | C17 | C19 | C20 | 163.4° | 135.8° |
| C18 | C17 | C19 | N23 | 19.5° | 43.8° |
| C18 | C17 | C16 | H16 | 178.8° | 179.7° |
| C17 | C19 | C20 | N23 | 177.2° | 179.7° |
| C17 | C19 | C20 | N21 | 178.0° | 180.0° |
| C17 | C19 | C20 | C30 | 4.9° | 0.1° |
| C17 | C19 | N23 | C22 | 177.5° | 179.9° |
| C19 | C17 | C18 | H18 | 0.5° | 0.0° |
| C19 | C17 | C16 | H16 | 0.6° | 0.0° |
| C19 | C20 | N21 | C30 | 177.6° | 179.9° |
| C19 | C20 | N21 | C22 | 1.3° | 0.0° |
| C19 | C20 | N21 | C24 | 173.4° | 180.0° |
| C20 | C19 | N23 | C22 | 0.1° | 0.4° |
| C19 | C20 | C30 | N31 | 84.6° | 6.0° |
| C19 | C20 | C30 | S38 | 99.8° | 174.4° |
| N23 | C19 | C20 | N21 | 0.8° | 0.2° |
| N23 | C19 | C20 | C30 | 177.9° | 179.8° |
| C19 | N23 | C22 | N21 | 1.0° | 0.4° |
| C19 | N23 | C22 | H22 | 179.0° | 179.8° |
| C20 | N21 | C22 | C24 | 173.1° | 179.9° |
| C20 | N21 | C22 | N23 | 1.5° | 0.2° |
| C20 | N21 | C24 | C25 | 63.8° | 85.0° |
| N21 | C20 | C30 | N31 | 98.7° | 174.0° |
| N21 | C20 | C30 | S38 | 76.9° | 5.6° |
| C20 | N21 | C22 | H22 | 178.5° | 180.0° |
| C20 | N21 | C24 | H241 | 174.9° | 155.0° |
| C20 | N21 | C24 | H242 | 57.6° | 35.0° |
| C30 | C20 | N21 | C22 | 178.9° | 180.0° |
| C30 | C20 | N21 | C24 | 9.0° | 0.1° |
| C20 | C30 | N31 | S38 | 175.8° | 179.6° |
| C20 | C30 | N31 | C32 | 176.0° | 180.0° |
| C20 | C30 | S38 | C37 | 175.1° | 180.0° |
| N21 | C22 | N23 | H22 | 180.0° | 179.8° |
| C22 | N21 | C24 | C25 | 125.0° | 95.0° |
| C22 | N21 | C24 | H241 | 3.7° | 25.1° |
| C22 | N21 | C24 | H242 | 113.7° | 145.0° |
| C24 | N21 | C22 | N23 | 174.6° | 179.7° |
| N21 | C24 | C25 | H241 | 121.3° | 120.0° |
| N21 | C24 | C25 | H242 | 121.3° | 120.0° |
| N21 | C24 | C25 | C26 | 156.0° | 175.0° |
| N21 | C24 | C25 | O29 | 85.1° | 69.6° |
| C24 | N21 | C22 | H22 | 5.4° | 0.1° |
| N21 | C24 | H241 | H242 | 115.8° | 119.9° |
| N21 | C24 | C25 | H25 | 36.7° | 52.7° |
| C24 | C25 | C26 | O29 | 120.2° | 118.9° |
| C24 | C25 | C26 | H25 | 119.3° | 122.2° |
| C24 | C25 | O29 | H25 | 121.0° | 122.3° |
| C24 | C25 | C26 | C27 | 126.5° | 142.8° |
| C24 | C25 | O29 | C28 | 137.8° | 159.3° |
| C25 | C24 | H241 | H242 | 115.8° | 120.0° |
| C24 | C25 | C26 | H261 | 7.1° | 24.2° |
| C24 | C25 | C26 | H262 | 114.1° | 98.5° |
| C26 | C25 | O29 | H25 | 119.7° | 118.9° |
| C25 | C26 | C27 | H261 | 119.4° | 118.6° |
| C25 | C26 | C27 | H262 | 119.4° | 118.6° |
| C25 | C26 | C27 | C28 | 7.5° | 0.0° |
| C26 | C25 | O29 | C28 | 18.5° | 40.5° |
| C26 | C25 | C24 | H241 | 82.7° | 65.0° |
| C26 | C25 | C24 | H242 | 34.7° | 55.0° |
| C25 | C26 | H261 | H262 | 121.8° | 122.7° |
| C25 | C26 | C27 | H271 | 111.8° | 118.6° |
| C25 | C26 | C27 | H272 | 126.8° | 118.7° |
| O29 | C25 | C26 | C27 | 6.2° | 24.0° |
| C25 | O29 | C28 | C27 | 23.4° | 40.5° |
| O29 | C25 | C24 | H241 | 36.2° | 50.4° |
| O29 | C25 | C24 | H242 | 153.6° | 170.4° |
| O29 | C25 | C26 | H261 | 113.2° | 94.7° |
| O29 | C25 | C26 | H262 | 125.6° | 142.6° |
| C25 | O29 | C28 | H281 | 143.2° | 159.3° |
| C25 | O29 | C28 | H282 | 96.3° | 78.3° |
| C26 | C27 | C28 | H271 | 119.3° | 118.6° |
| C26 | C27 | C28 | H272 | 119.3° | 118.6° |
| C26 | C27 | C28 | O29 | 18.9° | 24.0° |
| C27 | C26 | C25 | H25 | 114.2° | 95.0° |
| C27 | C26 | H261 | H262 | 121.8° | 122.7° |
| C26 | C27 | H271 | H272 | 122.0° | 122.6° |
| C26 | C27 | C28 | H281 | 138.6° | 142.8° |
| C26 | C27 | C28 | H282 | 100.8° | 94.8° |
| C27 | C28 | O29 | H281 | 119.7° | 118.9° |
| C27 | C28 | O29 | H282 | 119.7° | 118.8° |
| C28 | C27 | C26 | H261 | 126.9° | 118.6° |
| C28 | C27 | C26 | H262 | 111.9° | 118.6° |
| C28 | C27 | H271 | H272 | 122.0° | 122.7° |
| C27 | C28 | H281 | H282 | 120.8° | 122.3° |
| C28 | O29 | C25 | H25 | 101.2° | 78.4° |
| O29 | C28 | C27 | H271 | 100.5° | 94.7° |
| O29 | C28 | C27 | H272 | 138.2° | 142.6° |
| O29 | C28 | H281 | H282 | 120.8° | 122.3° |
| C30 | N31 | C32 | C33 | 179.4° | 180.0° |
| C30 | N31 | C32 | C37 | 1.5° | 0.1° |
| N31 | C30 | S38 | C37 | 0.9° | 0.4° |
| S38 | C30 | N31 | C32 | 0.2° | 0.3° |
| C30 | S38 | C37 | C32 | 1.6° | 0.4° |
| C30 | S38 | C37 | N36 | 179.6° | 180.0° |
| N31 | C32 | C33 | C37 | 177.9° | 179.9° |
| N31 | C32 | C33 | N34 | 178.6° | 179.9° |
| N31 | C32 | C33 | N39 | 2.6° | 0.1° |
| N31 | C32 | C37 | N36 | 179.2° | 180.0° |
| N31 | C32 | C37 | S38 | 2.1° | 0.2° |
| C32 | C33 | N34 | N39 | 178.8° | 180.0° |
| C32 | C33 | N34 | C35 | 0.6° | 0.0° |
| C33 | C32 | C37 | N36 | 1.0° | 0.0° |
| C33 | C32 | C37 | S38 | 179.7° | 179.7° |
| C32 | C33 | N39 | H391 | 178.7° | 0.0° |
| C32 | C33 | N39 | H392 | 61.2° | 180.0° |
| C37 | C32 | C33 | N34 | 0.7° | 0.0° |
| C37 | C32 | C33 | N39 | 179.5° | 180.0° |
| C32 | C37 | N36 | C35 | 1.0° | 0.0° |
| C32 | C37 | N36 | S38 | 178.6° | 179.7° |
| C33 | N34 | C35 | N36 | 0.8° | 0.0° |
| N34 | C33 | N39 | H391 | 0.0° | 180.0° |
| N34 | C33 | N39 | H392 | 120.0° | 0.0° |
| C33 | N34 | C35 | H35 | 179.2° | 180.0° |
| N39 | C33 | N34 | C35 | 179.4° | 180.0° |
| C33 | N39 | H391 | H392 | 120.0° | 180.0° |
| N34 | C35 | N36 | H35 | 180.0° | 180.0° |
| N34 | C35 | N36 | C37 | 0.9° | 0.0° |
| C35 | N36 | C37 | S38 | 179.5° | 179.6° |
| C37 | N36 | C35 | H35 | 179.1° | 180.0° |
| H11C | C1 | H12C | H13C | 120.0° | 120.1° |
| H4 | C4 | C5 | H5 | 0.4° | 0.0° |
| H8 | C8 | C7 | H7 | 0.7° | 0.1° |
| H14 | C14 | C15 | H15 | 0.2° | 0.1° |
| H15 | C15 | C16 | H16 | 1.1° | 0.1° |
| H241 | C24 | C25 | H25 | 158.0° | 172.7° |
| H242 | C24 | C25 | H25 | 84.6° | 67.3° |
| H25 | C25 | C26 | H261 | 126.4° | 146.4° |
| H25 | C25 | C26 | H262 | 5.2° | 23.7° |
| H261 | C26 | C27 | H271 | 7.6° | 0.0° |
| H261 | C26 | C27 | H272 | 113.8° | 122.7° |
| H262 | C26 | C27 | H271 | 128.8° | 122.7° |
| H262 | C26 | C27 | H272 | 7.5° | 0.0° |
| H271 | C27 | C28 | H281 | 19.3° | 24.2° |
| H271 | C27 | C28 | H282 | 139.8° | 146.5° |
| H272 | C27 | C28 | H281 | 102.1° | 98.5° |
| H272 | C27 | C28 | H282 | 18.5° | 23.8° |
