S49
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | S8 | sing | 1.81Å | 1.68Å | |
| C7 | C4 | sing | 1.51Å | 1.51Å | |
| S8 | O12 | doub | 1.42Å | 1.43Å | |
| S8 | O13 | doub | 1.42Å | 1.43Å | |
| S8 | N9 | sing | 1.66Å | 1.61Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| N9 | C10 | sing | 1.46Å | 1.45Å | |
| C10 | C14 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C11 | O31 | doub | 1.21Å | 1.23Å | |
| C11 | N21 | sing | 1.35Å | 1.33Å | |
| N21 | C22 | sing | 1.47Å | 1.47Å | |
| N21 | C25 | sing | 1.47Å | 1.47Å | |
| C22 | C26 | sing | 1.51Å | 1.50Å | |
| C22 | C23 | sing | 1.54Å | 1.52Å | |
| C26 | O30 | doub | 1.21Å | 1.22Å | |
| C26 | N27 | sing | 1.35Å | 1.33Å | |
| C23 | C24 | sing | 1.55Å | 1.51Å | |
| C24 | C25 | sing | 1.55Å | 1.52Å | |
| N27 | C28 | sing | 1.46Å | 1.45Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C29 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.38Å | Aromatic |
| C35 | C37 | sing | 1.48Å | 1.50Å | |
| C35 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C37 | N38 | sing | 1.38Å | 1.27Å | |
| C37 | N39 | doub | 1.30Å | 1.26Å | |
| C36 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| N9 | H9 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| N27 | H27 | sing | 0.97Å | 1.00Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| N38 | H381 | sing | 0.97Å | 1.00Å | |
| N38 | H382 | sing | 0.97Å | 1.00Å | |
| N39 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S8 | C7 | C4 | 113.1° | 109.5° |
| C7 | S8 | O12 | 110.6° | 110.6° |
| C7 | S8 | O13 | 107.9° | 110.5° |
| C7 | S8 | N9 | 108.4° | 104.5° |
| S8 | C7 | H71C | 108.5° | 109.5° |
| S8 | C7 | H72C | 108.6° | 109.4° |
| C7 | C4 | C5 | 120.7° | 120.0° |
| C7 | C4 | C3 | 119.3° | 120.0° |
| C4 | C7 | H71C | 108.6° | 109.5° |
| C4 | C7 | H72C | 108.5° | 109.5° |
| O12 | S8 | O13 | 114.7° | 121.0° |
| O12 | S8 | N9 | 109.0° | 104.3° |
| O13 | S8 | N9 | 106.0° | 104.3° |
| S8 | N9 | C10 | 123.3° | 120.0° |
| S8 | N9 | H9 | 105.9° | 120.0° |
| C5 | C4 | C3 | 119.9° | 120.0° |
| C4 | C5 | C6 | 120.0° | 120.0° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C4 | C3 | C2 | 119.9° | 120.0° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C5 | C6 | C1 | 120.1° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C6 | C1 | C2 | 119.8° | 120.0° |
| C1 | C6 | H6 | 120.0° | 120.0° |
| C6 | C1 | H1 | 120.1° | 120.0° |
| C1 | C2 | C3 | 120.3° | 120.0° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C1 | C2 | H2 | 119.9° | 120.0° |
| C2 | C3 | H3 | 120.0° | 120.0° |
| C3 | C2 | H2 | 119.9° | 120.0° |
| C16 | C15 | C20 | 119.5° | 120.0° |
| C16 | C15 | C14 | 119.3° | 120.0° |
| C15 | C16 | C17 | 120.3° | 120.0° |
| C15 | C16 | H16 | 119.9° | 120.0° |
| C20 | C15 | C14 | 121.2° | 120.0° |
| C15 | C20 | C19 | 120.0° | 120.0° |
| C15 | C20 | H20 | 120.0° | 120.0° |
| C15 | C14 | C10 | 113.4° | 109.5° |
| C15 | C14 | H141 | 108.5° | 109.5° |
| C15 | C14 | H142 | 108.5° | 109.4° |
| C16 | C17 | C18 | 120.5° | 120.0° |
| C17 | C16 | H16 | 119.9° | 120.0° |
| C16 | C17 | H17 | 119.7° | 120.0° |
| C17 | C18 | C19 | 119.2° | 120.0° |
| C18 | C17 | H17 | 119.8° | 120.0° |
| C17 | C18 | H18 | 120.4° | 120.0° |
| C18 | C19 | C20 | 120.5° | 120.0° |
| C19 | C18 | H18 | 120.4° | 120.0° |
| C18 | C19 | H19 | 119.7° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C20 | C19 | H19 | 119.7° | 120.0° |
| N9 | C10 | C14 | 107.5° | 109.5° |
| N9 | C10 | C11 | 110.7° | 109.5° |
| C10 | N9 | H9 | 105.9° | 120.0° |
| N9 | C10 | H10 | 110.0° | 109.4° |
| C14 | C10 | C11 | 110.5° | 109.5° |
| C10 | C14 | H141 | 108.5° | 109.5° |
| C10 | C14 | H142 | 108.5° | 109.5° |
| C14 | C10 | H10 | 108.9° | 109.5° |
| C10 | C11 | O31 | 119.2° | 120.0° |
| C10 | C11 | N21 | 119.0° | 120.0° |
| C11 | C10 | H10 | 109.3° | 109.4° |
| O31 | C11 | N21 | 121.8° | 120.0° |
| C11 | N21 | C22 | 119.1° | 125.6° |
| C11 | N21 | C25 | 128.3° | 125.7° |
| C22 | N21 | C25 | 112.6° | 108.7° |
| N21 | C22 | C26 | 111.5° | 109.9° |
| N21 | C22 | C23 | 105.5° | 107.2° |
| N21 | C22 | H22 | 110.7° | 109.9° |
| N21 | C25 | C24 | 104.8° | 104.8° |
| N21 | C25 | H251 | 110.6° | 110.4° |
| N21 | C25 | H252 | 110.6° | 110.4° |
| C26 | C22 | C23 | 109.0° | 109.9° |
| C22 | C26 | O30 | 120.5° | 120.0° |
| C22 | C26 | N27 | 117.4° | 120.0° |
| C26 | C22 | H22 | 110.2° | 109.9° |
| C22 | C23 | C24 | 107.0° | 103.0° |
| C23 | C22 | H22 | 109.9° | 110.0° |
| C22 | C23 | H231 | 110.1° | 110.7° |
| C22 | C23 | H232 | 110.1° | 110.7° |
| O30 | C26 | N27 | 122.0° | 120.0° |
| C26 | N27 | C28 | 124.0° | 120.0° |
| C26 | N27 | H27 | 118.0° | 120.0° |
| C23 | C24 | C25 | 107.1° | 101.6° |
| C24 | C23 | H231 | 110.1° | 110.7° |
| C24 | C23 | H232 | 110.1° | 110.7° |
| C23 | C24 | H241 | 110.1° | 111.0° |
| C23 | C24 | H242 | 110.1° | 111.0° |
| C24 | C25 | H251 | 110.6° | 110.4° |
| C24 | C25 | H252 | 110.6° | 110.4° |
| C25 | C24 | H241 | 110.0° | 111.0° |
| C25 | C24 | H242 | 110.1° | 111.0° |
| N27 | C28 | C29 | 109.2° | 109.5° |
| C28 | N27 | H27 | 118.0° | 120.0° |
| N27 | C28 | H281 | 109.6° | 109.5° |
| N27 | C28 | H282 | 109.6° | 109.4° |
| C28 | C29 | C33 | 120.6° | 119.8° |
| C28 | C29 | C32 | 119.8° | 119.9° |
| C29 | C28 | H281 | 109.5° | 109.4° |
| C29 | C28 | H282 | 109.6° | 109.5° |
| C33 | C29 | C32 | 119.5° | 120.3° |
| C29 | C33 | C34 | 120.0° | 120.1° |
| C29 | C33 | H33 | 120.0° | 120.0° |
| C29 | C32 | C36 | 120.6° | 120.1° |
| C29 | C32 | H32 | 119.7° | 120.0° |
| C33 | C34 | C35 | 120.6° | 119.8° |
| C34 | C33 | H33 | 120.0° | 119.9° |
| C33 | C34 | H34 | 119.7° | 120.0° |
| C34 | C35 | C37 | 119.5° | 120.1° |
| C34 | C35 | C36 | 119.5° | 119.8° |
| C35 | C34 | H34 | 119.7° | 120.1° |
| C37 | C35 | C36 | 121.0° | 120.1° |
| C35 | C37 | N38 | 120.6° | 120.0° |
| C35 | C37 | N39 | 119.3° | 120.0° |
| C35 | C36 | C32 | 119.9° | 119.9° |
| C35 | C36 | H36 | 120.1° | 120.1° |
| N38 | C37 | N39 | 120.2° | 120.0° |
| C37 | N38 | H381 | 120.0° | 120.0° |
| C37 | N38 | H382 | 120.0° | 120.0° |
| C37 | N39 | H39 | 112.0° | 120.0° |
| C36 | C32 | H32 | 119.7° | 119.9° |
| C32 | C36 | H36 | 120.0° | 120.1° |
| H71C | C7 | H72C | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 110.4° |
| H231 | C23 | H232 | 109.5° | 110.8° |
| H241 | C24 | H242 | 109.4° | 110.9° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H381 | N38 | H382 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S8 | C7 | C4 | H71C | 120.5° | 120.0° |
| S8 | C7 | C4 | H72C | 120.6° | 119.9° |
| C7 | S8 | O12 | O13 | 122.2° | 131.5° |
| C7 | S8 | O12 | N9 | 119.1° | 111.7° |
| C7 | S8 | O13 | N9 | 116.0° | 111.7° |
| S8 | C7 | C4 | C5 | 82.9° | 90.0° |
| S8 | C7 | C4 | C3 | 97.7° | 90.3° |
| C7 | S8 | N9 | C10 | 78.2° | 63.5° |
| S8 | C7 | H71C | H72C | 118.4° | 119.9° |
| C7 | S8 | N9 | H9 | 43.7° | 116.4° |
| C4 | C7 | S8 | O12 | 70.6° | 73.1° |
| C4 | C7 | S8 | O13 | 55.5° | 63.6° |
| C4 | C7 | S8 | N9 | 169.9° | 175.3° |
| C7 | C4 | C5 | C3 | 179.4° | 179.8° |
| C7 | C4 | C5 | C6 | 179.9° | 180.0° |
| C7 | C4 | C3 | C2 | 179.8° | 179.8° |
| C4 | C7 | H71C | H72C | 118.3° | 120.0° |
| C7 | C4 | C5 | H5 | 0.1° | 0.0° |
| C7 | C4 | C3 | H3 | 0.2° | 0.0° |
| O12 | S8 | O13 | N9 | 120.3° | 116.8° |
| O12 | S8 | N9 | C10 | 42.3° | 52.5° |
| O12 | S8 | C7 | H71C | 168.9° | 166.8° |
| O12 | S8 | C7 | H72C | 49.9° | 46.8° |
| O12 | S8 | N9 | H9 | 164.1° | 127.5° |
| O13 | S8 | N9 | C10 | 166.2° | 179.6° |
| O13 | S8 | C7 | H71C | 65.0° | 56.5° |
| O13 | S8 | C7 | H72C | 176.1° | 176.4° |
| O13 | S8 | N9 | H9 | 71.9° | 0.4° |
| S8 | N9 | C10 | H9 | 121.9° | 180.0° |
| S8 | N9 | C10 | C14 | 166.8° | 143.8° |
| S8 | N9 | C10 | C11 | 72.5° | 96.2° |
| N9 | S8 | C7 | H71C | 49.4° | 55.2° |
| N9 | S8 | C7 | H72C | 69.5° | 64.8° |
| S8 | N9 | C10 | H10 | 48.4° | 23.7° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.3° | 0.0° |
| C5 | C4 | C3 | C2 | 0.8° | 0.5° |
| C5 | C4 | C7 | H71C | 156.5° | 150.0° |
| C5 | C4 | C7 | H72C | 37.6° | 30.0° |
| C5 | C4 | C3 | H3 | 179.2° | 179.8° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.2° |
| C4 | C3 | C2 | C1 | 0.4° | 0.4° |
| C4 | C3 | C2 | H3 | 180.0° | 179.7° |
| C3 | C4 | C7 | H71C | 22.9° | 29.8° |
| C3 | C4 | C7 | H72C | 141.8° | 149.8° |
| C3 | C4 | C5 | H5 | 179.3° | 179.8° |
| C4 | C3 | C2 | H2 | 179.5° | 179.8° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.0° | 0.0° |
| C5 | C6 | C1 | H1 | 179.9° | 180.0° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.2° |
| C1 | C6 | C5 | H5 | 179.7° | 180.0° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.7° |
| C1 | C2 | C3 | H3 | 179.6° | 179.8° |
| C2 | C1 | C6 | H6 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.8° |
| C16 | C15 | C20 | C14 | 179.5° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.4° | 0.0° |
| C16 | C15 | C20 | C19 | 0.2° | 0.0° |
| C16 | C15 | C14 | C10 | 110.8° | 90.8° |
| C16 | C15 | C20 | H20 | 179.8° | 180.0° |
| C16 | C15 | C14 | H141 | 128.7° | 29.2° |
| C16 | C15 | C14 | H142 | 9.8° | 149.2° |
| C15 | C16 | C17 | H17 | 179.6° | 180.0° |
| C20 | C15 | C16 | C17 | 0.4° | 0.0° |
| C15 | C20 | C19 | C18 | 0.1° | 0.0° |
| C15 | C20 | C19 | H20 | 180.0° | 180.0° |
| C20 | C15 | C14 | C10 | 69.7° | 89.5° |
| C20 | C15 | C16 | H16 | 179.6° | 180.0° |
| C20 | C15 | C14 | H141 | 50.9° | 150.5° |
| C20 | C15 | C14 | H142 | 169.7° | 30.5° |
| C15 | C20 | C19 | H19 | 179.9° | 179.9° |
| C14 | C15 | C16 | C17 | 180.0° | 179.7° |
| C14 | C15 | C20 | C19 | 179.7° | 179.7° |
| C15 | C14 | C10 | N9 | 178.8° | 65.4° |
| C15 | C14 | C10 | H141 | 120.6° | 120.0° |
| C15 | C14 | C10 | H142 | 120.6° | 119.9° |
| C15 | C14 | C10 | C11 | 60.4° | 174.5° |
| C14 | C15 | C16 | H16 | 0.0° | 0.3° |
| C14 | C15 | C20 | H20 | 0.3° | 0.3° |
| C15 | C14 | H141 | H142 | 118.2° | 120.0° |
| C15 | C14 | C10 | H10 | 59.6° | 54.6° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.0° |
| C18 | C17 | C16 | H16 | 179.6° | 180.0° |
| C17 | C18 | C19 | H19 | 179.8° | 179.9° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| C19 | C18 | C17 | H17 | 179.9° | 180.0° |
| C20 | C19 | C18 | H18 | 179.8° | 180.0° |
| N9 | C10 | C14 | C11 | 120.8° | 120.0° |
| N9 | C10 | C14 | H10 | 119.1° | 120.0° |
| N9 | C10 | C11 | H10 | 121.3° | 119.9° |
| N9 | C10 | C11 | O31 | 44.6° | 0.0° |
| N9 | C10 | C11 | N21 | 136.7° | 180.0° |
| N9 | C10 | C14 | H141 | 58.2° | 174.5° |
| N9 | C10 | C14 | H142 | 60.6° | 54.5° |
| C14 | C10 | C11 | H10 | 119.8° | 120.0° |
| C14 | C10 | C11 | O31 | 74.4° | 120.0° |
| C14 | C10 | C11 | N21 | 104.4° | 60.0° |
| C14 | C10 | N9 | H9 | 71.3° | 36.2° |
| C10 | C14 | H141 | H142 | 118.2° | 120.0° |
| C10 | C11 | O31 | N21 | 178.7° | 180.0° |
| C10 | C11 | N21 | C22 | 179.7° | 179.9° |
| C10 | C11 | N21 | C25 | 1.9° | 0.3° |
| C11 | C10 | N9 | H9 | 49.4° | 83.9° |
| C11 | C10 | C14 | H141 | 179.0° | 54.5° |
| C11 | C10 | C14 | H142 | 60.2° | 65.5° |
| O31 | C11 | N21 | C22 | 1.6° | 0.0° |
| O31 | C11 | N21 | C25 | 179.3° | 179.7° |
| O31 | C11 | C10 | H10 | 165.9° | 120.0° |
| C11 | N21 | C22 | C25 | 178.1° | 179.7° |
| C11 | N21 | C22 | C26 | 62.4° | 59.9° |
| C11 | N21 | C22 | C23 | 179.4° | 179.2° |
| C11 | N21 | C25 | C24 | 169.8° | 156.2° |
| N21 | C11 | C10 | H10 | 15.4° | 60.1° |
| C11 | N21 | C22 | H22 | 60.6° | 61.2° |
| C11 | N21 | C25 | H251 | 50.5° | 85.0° |
| C11 | N21 | C25 | H252 | 71.0° | 37.3° |
| N21 | C22 | C26 | C23 | 116.1° | 117.7° |
| N21 | C22 | C26 | H22 | 123.3° | 121.1° |
| N21 | C22 | C23 | H22 | 119.4° | 119.5° |
| N21 | C22 | C26 | O30 | 40.5° | 0.1° |
| N21 | C22 | C26 | N27 | 138.3° | 180.0° |
| N21 | C22 | C23 | C24 | 8.6° | 22.2° |
| C22 | N21 | C25 | C24 | 12.4° | 24.1° |
| C22 | N21 | C25 | H251 | 131.6° | 94.7° |
| C22 | N21 | C25 | H252 | 106.9° | 143.0° |
| N21 | C22 | C23 | H231 | 111.0° | 140.5° |
| N21 | C22 | C23 | H232 | 128.2° | 96.2° |
| C25 | N21 | C22 | C26 | 115.6° | 120.4° |
| C25 | N21 | C22 | C23 | 2.5° | 1.1° |
| N21 | C25 | C24 | C23 | 17.3° | 37.0° |
| N21 | C25 | C24 | H251 | 119.2° | 118.8° |
| N21 | C25 | C24 | H252 | 119.3° | 118.9° |
| C25 | N21 | C22 | H22 | 121.3° | 118.5° |
| N21 | C25 | H251 | H252 | 122.2° | 122.3° |
| N21 | C25 | C24 | H241 | 136.9° | 81.1° |
| N21 | C25 | C24 | H242 | 102.4° | 155.1° |
| C26 | C22 | C23 | H22 | 120.8° | 121.1° |
| C22 | C26 | O30 | N27 | 178.7° | 179.9° |
| C26 | C22 | C23 | C24 | 128.4° | 97.2° |
| C22 | C26 | N27 | C28 | 179.6° | 180.0° |
| C26 | C22 | C23 | H231 | 8.8° | 21.2° |
| C26 | C22 | C23 | H232 | 112.0° | 144.4° |
| C22 | C26 | N27 | H27 | 0.4° | 0.1° |
| C23 | C22 | C26 | O30 | 75.6° | 117.8° |
| C23 | C22 | C26 | N27 | 105.6° | 62.3° |
| C22 | C23 | C24 | H231 | 119.6° | 118.4° |
| C22 | C23 | C24 | H232 | 119.6° | 118.4° |
| C22 | C23 | C24 | C25 | 16.2° | 35.5° |
| C22 | C23 | H231 | H232 | 121.1° | 123.2° |
| C22 | C23 | C24 | H241 | 135.8° | 82.5° |
| C22 | C23 | C24 | H242 | 103.5° | 153.6° |
| O30 | C26 | N27 | C28 | 0.8° | 0.1° |
| O30 | C26 | C22 | H22 | 163.8° | 121.0° |
| O30 | C26 | N27 | H27 | 179.2° | 180.0° |
| C26 | N27 | C28 | H27 | 180.0° | 180.0° |
| C26 | N27 | C28 | C29 | 105.1° | 180.0° |
| N27 | C26 | C22 | H22 | 15.0° | 58.9° |
| C26 | N27 | C28 | H281 | 135.0° | 60.0° |
| C26 | N27 | C28 | H282 | 14.9° | 60.0° |
| C23 | C24 | C25 | H241 | 119.6° | 118.1° |
| C23 | C24 | C25 | H242 | 119.6° | 118.1° |
| C24 | C23 | C22 | H22 | 110.8° | 141.7° |
| C23 | C24 | C25 | H251 | 136.5° | 81.8° |
| C23 | C24 | C25 | H252 | 102.0° | 155.9° |
| C24 | C23 | H231 | H232 | 121.2° | 123.3° |
| C23 | C24 | H241 | H242 | 121.1° | 123.9° |
| C24 | C25 | H251 | H252 | 122.2° | 122.3° |
| C25 | C24 | C23 | H231 | 103.4° | 153.9° |
| C25 | C24 | C23 | H232 | 135.7° | 82.9° |
| C25 | C24 | H241 | H242 | 121.1° | 123.9° |
| N27 | C28 | C29 | H281 | 120.0° | 120.0° |
| N27 | C28 | C29 | H282 | 120.0° | 120.0° |
| N27 | C28 | C29 | C33 | 90.4° | 90.0° |
| N27 | C28 | C29 | C32 | 89.0° | 90.3° |
| N27 | C28 | H281 | H282 | 120.1° | 120.0° |
| C28 | C29 | C33 | C32 | 179.3° | 179.7° |
| C28 | C29 | C33 | C34 | 179.5° | 179.9° |
| C28 | C29 | C32 | C36 | 179.5° | 179.7° |
| C29 | C28 | N27 | H27 | 74.9° | 0.0° |
| C29 | C28 | H281 | H282 | 120.1° | 120.0° |
| C28 | C29 | C33 | H33 | 0.4° | 0.0° |
| C28 | C29 | C32 | H32 | 0.5° | 0.0° |
| C29 | C33 | C34 | H33 | 180.0° | 179.9° |
| C29 | C33 | C34 | C35 | 0.3° | 0.0° |
| C33 | C29 | C32 | C36 | 0.1° | 0.6° |
| C33 | C29 | C28 | H281 | 29.6° | 30.0° |
| C33 | C29 | C28 | H282 | 149.7° | 150.0° |
| C33 | C29 | C32 | H32 | 179.9° | 179.7° |
| C29 | C33 | C34 | H34 | 179.7° | 179.9° |
| C32 | C29 | C33 | C34 | 0.2° | 0.3° |
| C29 | C32 | C36 | C35 | 0.1° | 0.5° |
| C29 | C32 | C36 | H32 | 180.0° | 179.7° |
| C32 | C29 | C28 | H281 | 151.0° | 149.7° |
| C32 | C29 | C28 | H282 | 31.0° | 29.7° |
| C32 | C29 | C33 | H33 | 179.8° | 179.7° |
| C29 | C32 | C36 | H36 | 179.9° | 179.7° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C37 | 179.8° | 180.0° |
| C33 | C34 | C35 | C36 | 0.3° | 0.0° |
| C34 | C35 | C37 | C36 | 179.5° | 179.9° |
| C34 | C35 | C37 | N38 | 178.9° | 179.9° |
| C34 | C35 | C37 | N39 | 1.4° | 0.0° |
| C34 | C35 | C36 | C32 | 0.2° | 0.2° |
| C35 | C34 | C33 | H33 | 179.7° | 179.9° |
| C34 | C35 | C36 | H36 | 179.8° | 180.0° |
| C35 | C37 | N38 | N39 | 179.7° | 180.0° |
| C37 | C35 | C36 | C32 | 179.7° | 179.7° |
| C37 | C35 | C34 | H34 | 0.2° | 0.1° |
| C37 | C35 | C36 | H36 | 0.2° | 0.1° |
| C35 | C37 | N38 | H381 | 179.7° | 0.1° |
| C35 | C37 | N38 | H382 | 0.3° | 180.0° |
| C35 | C37 | N39 | H39 | 179.7° | 180.0° |
| C36 | C35 | C37 | N38 | 1.6° | 0.0° |
| C36 | C35 | C37 | N39 | 178.1° | 179.9° |
| C35 | C36 | C32 | H36 | 180.0° | 179.8° |
| C35 | C36 | C32 | H32 | 179.9° | 179.8° |
| C36 | C35 | C34 | H34 | 179.7° | 180.0° |
| C37 | N38 | H381 | H382 | 180.0° | 179.9° |
| N38 | C37 | N39 | H39 | 0.0° | 0.1° |
| N39 | C37 | N38 | H381 | 0.0° | 180.0° |
| N39 | C37 | N38 | H382 | 180.0° | 0.1° |
| H9 | N9 | C10 | H10 | 170.2° | 156.2° |
| H5 | C5 | C6 | H6 | 0.3° | 0.0° |
| H3 | C3 | C2 | H2 | 0.5° | 0.1° |
| H6 | C6 | C1 | H1 | 0.0° | 0.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.0° |
| H16 | C16 | C17 | H17 | 0.4° | 0.0° |
| H20 | C20 | C19 | H19 | 0.1° | 0.1° |
| H141 | C14 | C10 | H10 | 61.0° | 65.5° |
| H142 | C14 | C10 | H10 | 179.8° | 174.5° |
| H17 | C17 | C18 | H18 | 0.1° | 0.0° |
| H18 | C18 | C19 | H19 | 0.2° | 0.1° |
| H22 | C22 | C23 | H231 | 129.6° | 100.0° |
| H22 | C22 | C23 | H232 | 8.8° | 23.3° |
| H251 | C25 | C24 | H241 | 103.9° | 160.1° |
| H251 | C25 | C24 | H242 | 16.9° | 36.3° |
| H252 | C25 | C24 | H241 | 17.6° | 37.8° |
| H252 | C25 | C24 | H242 | 138.3° | 86.0° |
| H231 | C23 | C24 | H241 | 16.2° | 35.8° |
| H231 | C23 | C24 | H242 | 136.9° | 88.0° |
| H232 | C23 | C24 | H241 | 104.6° | 159.1° |
| H232 | C23 | C24 | H242 | 16.1° | 35.2° |
| H27 | N27 | C28 | H281 | 45.0° | 120.0° |
| H27 | N27 | C28 | H282 | 165.1° | 120.0° |
| H33 | C33 | C34 | H34 | 0.3° | 0.0° |
| H32 | C32 | C36 | H36 | 0.1° | 0.0° |
