7R9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C35 | sing | 1.37Å | 1.33Å | Aromatic |
| C36 | C32 | doub | 1.37Å | 1.33Å | Aromatic |
| C35 | C34 | doub | 1.34Å | 1.34Å | Aromatic |
| C34 | CL | sing | 1.74Å | 1.73Å | |
| C34 | S33 | sing | 1.71Å | 1.71Å | Aromatic |
| S33 | C32 | sing | 1.76Å | 1.71Å | Aromatic |
| C32 | C31 | sing | 1.46Å | 1.53Å | |
| C31 | O42 | doub | 1.22Å | 1.23Å | |
| C31 | N30 | sing | 1.35Å | 1.33Å | |
| N30 | C22 | sing | 1.46Å | 1.47Å | |
| C22 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | N18 | sing | 1.46Å | 1.46Å | |
| C20 | O41 | doub | 1.21Å | 1.23Å | |
| C20 | N21 | sing | 1.35Å | 1.33Å | |
| N21 | C23 | sing | 1.47Å | 1.47Å | |
| N21 | C26 | sing | 1.47Å | 1.47Å | |
| C23 | C24 | sing | 1.55Å | 1.53Å | |
| C26 | C25 | sing | 1.54Å | 1.53Å | |
| C25 | C24 | sing | 1.55Å | 1.53Å | |
| C24 | N27 | sing | 1.47Å | 1.47Å | |
| N27 | C29 | sing | 1.47Å | 1.47Å | |
| N27 | C28 | sing | 1.47Å | 1.47Å | |
| N18 | S17 | sing | 1.66Å | 1.63Å | |
| S17 | O38 | doub | 1.42Å | 1.50Å | |
| S17 | O39 | doub | 1.42Å | 1.50Å | |
| S17 | C9 | sing | 1.76Å | 1.75Å | |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | O13 | sing | 1.36Å | 1.36Å | |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| O13 | C14 | sing | 1.43Å | 1.44Å | |
| C14 | F16 | sing | 1.40Å | 1.35Å | |
| C14 | F15 | sing | 1.40Å | 1.35Å | |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | N3 | sing | 1.40Å | 1.40Å | |
| N3 | C2 | sing | 1.46Å | 1.48Å | |
| N3 | C4 | sing | 1.33Å | 1.40Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.50Å | 1.53Å | |
| C4 | O40 | doub | 1.21Å | 1.23Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| N30 | H30 | sing | 0.97Å | 1.00Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N18 | H18 | sing | 0.97Å | 1.00Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | 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 | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C36 | C32 | 115.0° | 113.3° |
| C36 | C35 | C34 | 114.9° | 115.1° |
| C35 | C36 | H36 | 122.5° | 123.3° |
| C36 | C35 | H35 | 122.6° | 122.4° |
| C36 | C32 | S33 | 109.1° | 109.1° |
| C36 | C32 | C31 | 126.7° | 125.4° |
| C32 | C36 | H36 | 122.5° | 123.4° |
| C35 | C34 | CL | 125.7° | 124.5° |
| C35 | C34 | S33 | 109.0° | 110.9° |
| C34 | C35 | H35 | 122.5° | 122.5° |
| CL | C34 | S33 | 125.2° | 124.6° |
| C34 | S33 | C32 | 92.0° | 91.6° |
| S33 | C32 | C31 | 124.2° | 125.5° |
| C32 | C31 | O42 | 119.4° | 120.0° |
| C32 | C31 | N30 | 117.5° | 120.0° |
| O42 | C31 | N30 | 123.1° | 120.0° |
| C31 | N30 | C22 | 120.8° | 120.0° |
| C31 | N30 | H30 | 119.6° | 119.9° |
| N30 | C22 | C19 | 112.8° | 109.5° |
| C22 | N30 | H30 | 119.6° | 120.0° |
| N30 | C22 | H221 | 108.7° | 109.5° |
| N30 | C22 | H222 | 108.6° | 109.5° |
| C22 | C19 | C20 | 110.4° | 109.5° |
| C22 | C19 | N18 | 111.7° | 109.5° |
| C19 | C22 | H221 | 108.6° | 109.5° |
| C19 | C22 | H222 | 108.6° | 109.4° |
| C22 | C19 | H19 | 108.1° | 109.5° |
| C20 | C19 | N18 | 109.3° | 109.5° |
| C19 | C20 | O41 | 120.3° | 119.9° |
| C19 | C20 | N21 | 119.8° | 120.0° |
| C20 | C19 | H19 | 108.2° | 109.4° |
| C19 | N18 | S17 | 107.9° | 120.0° |
| N18 | C19 | H19 | 109.0° | 109.5° |
| C19 | N18 | H18 | 109.9° | 120.0° |
| O41 | C20 | N21 | 119.8° | 120.0° |
| C20 | N21 | C23 | 124.9° | 125.7° |
| C20 | N21 | C26 | 124.3° | 125.7° |
| C23 | N21 | C26 | 110.8° | 108.7° |
| N21 | C23 | C24 | 100.7° | 104.8° |
| N21 | C23 | H231 | 111.6° | 110.3° |
| N21 | C23 | H232 | 111.6° | 110.4° |
| N21 | C26 | C25 | 100.9° | 107.3° |
| N21 | C26 | H261 | 111.5° | 109.9° |
| N21 | C26 | H262 | 111.6° | 109.9° |
| C23 | C24 | C25 | 100.2° | 101.5° |
| C23 | C24 | N27 | 111.4° | 111.0° |
| C24 | C23 | H231 | 111.6° | 110.4° |
| C24 | C23 | H232 | 111.6° | 110.4° |
| C23 | C24 | H24 | 110.8° | 111.0° |
| C26 | C25 | C24 | 97.6° | 103.0° |
| C25 | C26 | H261 | 111.6° | 109.9° |
| C25 | C26 | H262 | 111.6° | 109.9° |
| C26 | C25 | H251 | 112.3° | 110.7° |
| C26 | C25 | H252 | 112.3° | 110.7° |
| C25 | C24 | N27 | 111.4° | 110.9° |
| C25 | C24 | H24 | 110.8° | 111.1° |
| C24 | C25 | H251 | 112.4° | 110.5° |
| C24 | C25 | H252 | 112.4° | 110.9° |
| C24 | N27 | C29 | 108.6° | 111.0° |
| C24 | N27 | C28 | 108.2° | 111.0° |
| N27 | C24 | H24 | 111.7° | 111.0° |
| C29 | N27 | C28 | 110.2° | 111.0° |
| N27 | C29 | H291 | 109.5° | 109.5° |
| N27 | C29 | H292 | 109.5° | 109.5° |
| N27 | C29 | H293 | 109.4° | 109.5° |
| N27 | C28 | H281 | 109.5° | 109.4° |
| N27 | C28 | H282 | 109.4° | 109.4° |
| N27 | C28 | H283 | 109.5° | 109.5° |
| N18 | S17 | O38 | 108.6° | 106.4° |
| N18 | S17 | O39 | 108.2° | 106.4° |
| N18 | S17 | C9 | 110.2° | 107.2° |
| S17 | N18 | H18 | 109.9° | 120.0° |
| O38 | S17 | O39 | 110.1° | 123.2° |
| O38 | S17 | C9 | 109.8° | 106.4° |
| O39 | S17 | C9 | 109.8° | 106.4° |
| S17 | C9 | C8 | 122.4° | 120.0° |
| S17 | C9 | C10 | 117.6° | 120.0° |
| C8 | C9 | C10 | 119.9° | 120.0° |
| C9 | C8 | O13 | 122.1° | 120.1° |
| C9 | C8 | C7 | 118.8° | 119.8° |
| C9 | C10 | C11 | 121.0° | 120.2° |
| C9 | C10 | H10 | 119.5° | 119.9° |
| O13 | C8 | C7 | 118.8° | 120.1° |
| C8 | O13 | C14 | 111.2° | 117.0° |
| C8 | C7 | C12 | 121.3° | 119.9° |
| C8 | C7 | N3 | 120.8° | 120.1° |
| O13 | C14 | F16 | 108.9° | 109.5° |
| O13 | C14 | F15 | 115.2° | 109.5° |
| O13 | C14 | H14 | 106.5° | 109.5° |
| F16 | C14 | F15 | 110.8° | 109.5° |
| F16 | C14 | H14 | 107.6° | 109.5° |
| F15 | C14 | H14 | 107.6° | 109.4° |
| C10 | C11 | C12 | 119.4° | 120.2° |
| C11 | C10 | H10 | 119.5° | 120.0° |
| C10 | C11 | H11 | 120.3° | 119.9° |
| C11 | C12 | C7 | 119.5° | 120.0° |
| C12 | C11 | H11 | 120.3° | 119.9° |
| C11 | C12 | H12 | 120.2° | 120.0° |
| C12 | C7 | N3 | 117.9° | 120.1° |
| C7 | C12 | H12 | 120.2° | 120.1° |
| C7 | N3 | C2 | 121.4° | 117.9° |
| C7 | N3 | C4 | 119.4° | 118.0° |
| C2 | N3 | C4 | 118.9° | 124.1° |
| N3 | C2 | C1 | 107.1° | 110.5° |
| N3 | C2 | H21C | 110.0° | 109.3° |
| N3 | C2 | H22C | 110.1° | 109.2° |
| N3 | C4 | C5 | 120.8° | 123.6° |
| N3 | C4 | O40 | 119.1° | 118.2° |
| C2 | C1 | C6 | 112.3° | 108.7° |
| C1 | C2 | H21C | 110.0° | 109.3° |
| C1 | C2 | H22C | 110.1° | 109.3° |
| C2 | C1 | H11C | 108.8° | 109.6° |
| C2 | C1 | H12C | 108.8° | 109.6° |
| C1 | C6 | C5 | 113.7° | 108.4° |
| C6 | C1 | H11C | 108.8° | 109.6° |
| C6 | C1 | H12C | 108.8° | 109.6° |
| C1 | C6 | H61C | 108.4° | 109.6° |
| C1 | C6 | H62C | 108.4° | 109.7° |
| C6 | C5 | C4 | 113.2° | 110.0° |
| C5 | C6 | H61C | 108.4° | 109.7° |
| C5 | C6 | H62C | 108.4° | 109.7° |
| C6 | C5 | H51C | 108.5° | 109.4° |
| C6 | C5 | H52C | 108.5° | 109.3° |
| C5 | C4 | O40 | 120.0° | 118.2° |
| C4 | C5 | H51C | 108.5° | 109.6° |
| C4 | C5 | H52C | 108.5° | 109.2° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 110.4° |
| H261 | C26 | H262 | 109.5° | 110.0° |
| H251 | C25 | H252 | 109.5° | 110.8° |
| H291 | C29 | H292 | 109.5° | 109.4° |
| H291 | C29 | H293 | 109.4° | 109.5° |
| H292 | C29 | H293 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.4° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.6° |
| H282 | C28 | H283 | 109.5° | 109.4° |
| H21C | C2 | H22C | 109.5° | 109.2° |
| H11C | C1 | H12C | 109.4° | 109.7° |
| H61C | C6 | H62C | 109.4° | 109.7° |
| H51C | C5 | H52C | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C36 | C32 | H36 | 180.0° | 179.7° |
| C36 | C35 | C34 | H35 | 180.0° | 179.9° |
| C36 | C35 | C34 | CL | 176.9° | 180.0° |
| C36 | C35 | C34 | S33 | 0.5° | 0.0° |
| C35 | C36 | C32 | S33 | 0.0° | 0.0° |
| C35 | C36 | C32 | C31 | 177.2° | 179.9° |
| C32 | C36 | C35 | C34 | 0.3° | 0.0° |
| C36 | C32 | S33 | C34 | 0.2° | 0.0° |
| C36 | C32 | S33 | C31 | 177.3° | 180.0° |
| C36 | C32 | C31 | O42 | 168.1° | 0.1° |
| C36 | C32 | C31 | N30 | 11.1° | 180.0° |
| C32 | C36 | C35 | H35 | 179.7° | 179.9° |
| C35 | C34 | CL | S33 | 177.0° | 180.0° |
| C35 | C34 | S33 | C32 | 0.4° | 0.0° |
| C34 | C35 | C36 | H36 | 179.7° | 179.7° |
| CL | C34 | S33 | C32 | 177.0° | 180.0° |
| CL | C34 | C35 | H35 | 3.1° | 0.1° |
| C34 | S33 | C32 | C31 | 177.5° | 179.9° |
| S33 | C34 | C35 | H35 | 179.6° | 179.9° |
| S33 | C32 | C31 | O42 | 8.7° | 180.0° |
| S33 | C32 | C31 | N30 | 172.1° | 0.0° |
| S33 | C32 | C36 | H36 | 179.9° | 179.7° |
| C32 | C31 | O42 | N30 | 179.2° | 179.9° |
| C32 | C31 | N30 | C22 | 178.8° | 180.0° |
| C31 | C32 | C36 | H36 | 2.8° | 0.2° |
| C32 | C31 | N30 | H30 | 1.3° | 0.0° |
| O42 | C31 | N30 | C22 | 0.4° | 0.0° |
| O42 | C31 | N30 | H30 | 179.6° | 180.0° |
| C31 | N30 | C22 | H30 | 180.0° | 180.0° |
| C31 | N30 | C22 | C19 | 91.4° | 180.0° |
| C31 | N30 | C22 | H221 | 148.1° | 60.0° |
| C31 | N30 | C22 | H222 | 29.1° | 60.0° |
| N30 | C22 | C19 | H221 | 120.5° | 120.0° |
| N30 | C22 | C19 | H222 | 120.5° | 120.0° |
| N30 | C22 | C19 | C20 | 52.6° | 175.3° |
| N30 | C22 | C19 | N18 | 69.2° | 55.2° |
| N30 | C22 | H221 | H222 | 118.5° | 120.0° |
| N30 | C22 | C19 | H19 | 170.9° | 64.8° |
| C22 | C19 | C20 | N18 | 123.2° | 120.0° |
| C22 | C19 | C20 | H19 | 118.2° | 120.0° |
| C22 | C19 | N18 | H19 | 119.4° | 120.0° |
| C22 | C19 | C20 | O41 | 85.7° | 97.1° |
| C22 | C19 | C20 | N21 | 95.7° | 82.9° |
| C22 | C19 | N18 | S17 | 138.5° | 143.8° |
| C19 | C22 | N30 | H30 | 88.6° | 0.0° |
| C19 | C22 | H221 | H222 | 118.5° | 120.0° |
| C22 | C19 | N18 | H18 | 101.7° | 36.3° |
| C20 | C19 | N18 | H19 | 118.1° | 120.0° |
| C19 | C20 | O41 | N21 | 178.6° | 180.0° |
| C19 | C20 | N21 | C23 | 2.0° | 175.4° |
| C19 | C20 | N21 | C26 | 179.2° | 4.9° |
| C20 | C19 | N18 | S17 | 99.0° | 96.2° |
| C20 | C19 | C22 | H221 | 173.1° | 64.7° |
| C20 | C19 | C22 | H222 | 67.8° | 55.3° |
| C20 | C19 | N18 | H18 | 20.8° | 83.8° |
| N18 | C19 | C20 | O41 | 37.5° | 22.9° |
| N18 | C19 | C20 | N21 | 141.1° | 157.1° |
| C19 | N18 | S17 | H18 | 119.8° | 180.0° |
| C19 | N18 | S17 | O38 | 168.8° | 179.4° |
| C19 | N18 | S17 | O39 | 49.3° | 47.7° |
| C19 | N18 | S17 | C9 | 70.8° | 65.9° |
| N18 | C19 | C22 | H221 | 51.3° | 175.3° |
| N18 | C19 | C22 | H222 | 170.4° | 64.7° |
| O41 | C20 | N21 | C23 | 176.6° | 4.6° |
| O41 | C20 | N21 | C26 | 2.2° | 175.1° |
| O41 | C20 | C19 | H19 | 156.1° | 143.0° |
| C20 | N21 | C23 | C26 | 179.0° | 179.7° |
| C20 | N21 | C23 | C24 | 167.2° | 155.9° |
| C20 | N21 | C26 | C25 | 159.6° | 179.0° |
| N21 | C20 | C19 | H19 | 22.5° | 37.1° |
| C20 | N21 | C23 | H231 | 48.6° | 37.1° |
| C20 | N21 | C23 | H232 | 74.3° | 85.2° |
| C20 | N21 | C26 | H261 | 41.0° | 61.6° |
| C20 | N21 | C26 | H262 | 81.8° | 59.6° |
| N21 | C23 | C24 | H231 | 118.6° | 118.8° |
| N21 | C23 | C24 | H232 | 118.5° | 118.9° |
| C23 | N21 | C26 | C25 | 21.4° | 1.3° |
| N21 | C23 | C24 | C25 | 40.4° | 37.1° |
| N21 | C23 | C24 | N27 | 158.4° | 155.1° |
| N21 | C23 | H231 | H232 | 124.1° | 122.3° |
| C23 | N21 | C26 | H261 | 140.0° | 118.1° |
| C23 | N21 | C26 | H262 | 97.2° | 120.7° |
| N21 | C23 | C24 | H24 | 76.6° | 81.0° |
| C26 | N21 | C23 | C24 | 11.8° | 24.4° |
| N21 | C26 | C25 | H261 | 118.6° | 119.5° |
| N21 | C26 | C25 | H262 | 118.6° | 119.4° |
| N21 | C26 | C25 | C24 | 45.3° | 22.0° |
| C26 | N21 | C23 | H231 | 130.4° | 143.2° |
| C26 | N21 | C23 | H232 | 106.7° | 94.5° |
| N21 | C26 | H261 | H262 | 124.0° | 121.1° |
| N21 | C26 | C25 | H251 | 72.7° | 96.2° |
| N21 | C26 | C25 | H252 | 163.4° | 140.5° |
| C23 | C24 | C25 | C26 | 53.5° | 35.5° |
| C23 | C24 | C25 | N27 | 118.0° | 118.0° |
| C23 | C24 | C25 | H24 | 117.0° | 118.1° |
| C23 | C24 | N27 | H24 | 124.5° | 123.9° |
| C23 | C24 | N27 | C29 | 173.8° | 180.0° |
| C23 | C24 | N27 | C28 | 66.6° | 56.1° |
| C24 | C23 | H231 | H232 | 124.1° | 122.3° |
| C23 | C24 | C25 | H251 | 64.5° | 82.8° |
| C23 | C24 | C25 | H252 | 171.5° | 153.9° |
| C26 | C25 | C24 | H251 | 118.0° | 118.3° |
| C26 | C25 | C24 | H252 | 118.0° | 118.4° |
| C26 | C25 | C24 | N27 | 171.5° | 153.4° |
| C25 | C26 | H261 | H262 | 124.0° | 121.1° |
| C26 | C25 | C24 | H24 | 63.5° | 82.6° |
| C26 | C25 | H251 | H252 | 125.5° | 123.2° |
| C25 | C24 | N27 | H24 | 124.5° | 124.0° |
| C25 | C24 | N27 | C29 | 62.9° | 67.9° |
| C25 | C24 | N27 | C28 | 177.6° | 168.2° |
| C25 | C24 | C23 | H231 | 159.0° | 155.9° |
| C25 | C24 | C23 | H232 | 78.1° | 81.7° |
| C24 | C25 | C26 | H261 | 163.9° | 141.5° |
| C24 | C25 | C26 | H262 | 73.2° | 97.4° |
| C24 | C25 | H251 | H252 | 125.6° | 123.3° |
| C24 | N27 | C29 | C28 | 118.3° | 123.9° |
| N27 | C24 | C23 | H231 | 83.0° | 86.2° |
| N27 | C24 | C23 | H232 | 39.8° | 36.2° |
| N27 | C24 | C25 | H251 | 53.5° | 35.1° |
| N27 | C24 | C25 | H252 | 70.5° | 88.1° |
| C24 | N27 | C29 | H291 | 180.0° | 60.0° |
| C24 | N27 | C29 | H292 | 60.0° | 179.9° |
| C24 | N27 | C29 | H293 | 60.0° | 60.0° |
| C24 | N27 | C28 | H281 | 180.0° | 60.1° |
| C24 | N27 | C28 | H282 | 60.0° | 180.0° |
| C24 | N27 | C28 | H283 | 60.0° | 60.0° |
| C29 | N27 | C24 | H24 | 61.6° | 56.1° |
| N27 | C29 | H291 | H292 | 120.0° | 120.0° |
| N27 | C29 | H291 | H293 | 120.0° | 120.0° |
| N27 | C29 | H292 | H293 | 120.0° | 120.0° |
| C29 | N27 | C28 | H281 | 61.4° | 176.0° |
| C29 | N27 | C28 | H282 | 58.6° | 56.1° |
| C29 | N27 | C28 | H283 | 178.6° | 63.9° |
| C28 | N27 | C24 | H24 | 57.9° | 67.8° |
| C28 | N27 | C29 | H291 | 61.6° | 63.9° |
| C28 | N27 | C29 | H292 | 178.3° | 56.0° |
| C28 | N27 | C29 | H293 | 58.3° | 176.1° |
| N27 | C28 | H281 | H282 | 120.0° | 119.9° |
| N27 | C28 | H281 | H283 | 120.0° | 120.1° |
| N27 | C28 | H282 | H283 | 120.0° | 120.0° |
| N18 | S17 | O38 | O39 | 118.4° | 122.9° |
| N18 | S17 | O38 | C9 | 120.6° | 114.1° |
| N18 | S17 | O39 | C9 | 120.3° | 114.1° |
| N18 | S17 | C9 | C8 | 59.6° | 64.9° |
| N18 | S17 | C9 | C10 | 117.5° | 115.3° |
| S17 | N18 | C19 | H19 | 19.1° | 23.8° |
| O38 | S17 | O39 | C9 | 121.0° | 123.0° |
| O38 | S17 | C9 | C8 | 60.0° | 48.6° |
| O38 | S17 | C9 | C10 | 122.8° | 131.2° |
| O38 | S17 | N18 | H18 | 71.4° | 0.6° |
| O39 | S17 | C9 | C8 | 178.8° | 178.5° |
| O39 | S17 | C9 | C10 | 1.6° | 1.8° |
| O39 | S17 | N18 | H18 | 169.0° | 132.4° |
| S17 | C9 | C8 | C10 | 177.1° | 179.7° |
| S17 | C9 | C8 | O13 | 4.3° | 0.0° |
| S17 | C9 | C8 | C7 | 177.9° | 180.0° |
| S17 | C9 | C10 | C11 | 177.2° | 180.0° |
| C9 | S17 | N18 | H18 | 49.0° | 114.1° |
| S17 | C9 | C10 | H10 | 2.8° | 0.0° |
| C9 | C8 | O13 | C7 | 173.6° | 180.0° |
| C9 | C8 | O13 | C14 | 106.3° | 97.5° |
| C8 | C9 | C10 | C11 | 0.0° | 0.2° |
| C9 | C8 | C7 | C12 | 1.2° | 0.0° |
| C9 | C8 | C7 | N3 | 179.3° | 180.0° |
| C8 | C9 | C10 | H10 | 180.0° | 179.8° |
| C10 | C9 | C8 | O13 | 172.7° | 179.7° |
| C10 | C9 | C8 | C7 | 0.8° | 0.2° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.6° | 0.0° |
| C9 | C10 | C11 | H11 | 179.4° | 179.9° |
| C8 | O13 | C14 | F16 | 161.7° | 52.6° |
| C8 | O13 | C14 | F15 | 73.3° | 67.5° |
| O13 | C8 | C7 | C12 | 172.6° | 180.0° |
| O13 | C8 | C7 | N3 | 7.0° | 0.0° |
| C8 | O13 | C14 | H14 | 45.9° | 172.6° |
| C7 | C8 | O13 | C14 | 80.2° | 82.5° |
| C8 | C7 | C12 | C11 | 0.6° | 0.3° |
| C8 | C7 | C12 | N3 | 179.6° | 180.0° |
| C8 | C7 | N3 | C2 | 55.9° | 78.7° |
| C8 | C7 | N3 | C4 | 130.4° | 101.1° |
| C8 | C7 | C12 | H12 | 179.4° | 180.0° |
| O13 | C14 | F16 | F15 | 127.6° | 120.0° |
| O13 | C14 | F16 | H14 | 115.1° | 120.0° |
| O13 | C14 | F15 | H14 | 118.6° | 120.0° |
| F16 | C14 | F15 | H14 | 117.3° | 120.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C7 | 0.2° | 0.3° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| C11 | C12 | C7 | H12 | 180.0° | 179.7° |
| C11 | C12 | C7 | N3 | 179.8° | 179.7° |
| C12 | C11 | C10 | H10 | 179.5° | 180.0° |
| C12 | C7 | N3 | C2 | 123.6° | 101.3° |
| C12 | C7 | N3 | C4 | 50.0° | 78.9° |
| C7 | C12 | C11 | H11 | 179.8° | 179.7° |
| C7 | N3 | C2 | C4 | 173.7° | 179.8° |
| C7 | N3 | C2 | C1 | 136.5° | 161.0° |
| C7 | N3 | C4 | C5 | 175.9° | 178.1° |
| C7 | N3 | C4 | O40 | 0.8° | 2.2° |
| N3 | C7 | C12 | H12 | 0.2° | 0.0° |
| C7 | N3 | C2 | H21C | 16.9° | 78.7° |
| C7 | N3 | C2 | H22C | 103.9° | 40.6° |
| N3 | C2 | C1 | H21C | 119.6° | 120.3° |
| N3 | C2 | C1 | H22C | 119.6° | 120.2° |
| N3 | C2 | C1 | C6 | 63.8° | 50.7° |
| C2 | N3 | C4 | C5 | 10.3° | 1.7° |
| C2 | N3 | C4 | O40 | 173.0° | 178.0° |
| N3 | C2 | H21C | H22C | 121.1° | 119.4° |
| N3 | C2 | C1 | H11C | 56.6° | 170.5° |
| N3 | C2 | C1 | H12C | 175.7° | 69.0° |
| C4 | N3 | C2 | C1 | 37.2° | 18.8° |
| N3 | C4 | C5 | C6 | 33.1° | 17.1° |
| N3 | C4 | C5 | O40 | 176.6° | 179.7° |
| C4 | N3 | C2 | H21C | 156.8° | 101.5° |
| C4 | N3 | C2 | H22C | 82.4° | 139.1° |
| N3 | C4 | C5 | H51C | 153.7° | 137.4° |
| N3 | C4 | C5 | H52C | 87.5° | 102.9° |
| C2 | C1 | C6 | H11C | 120.4° | 119.8° |
| C2 | C1 | C6 | H12C | 120.4° | 119.8° |
| C2 | C1 | C6 | C5 | 42.1° | 67.5° |
| C1 | C2 | H21C | H22C | 121.1° | 119.6° |
| C2 | C1 | H11C | H12C | 118.7° | 120.4° |
| C2 | C1 | C6 | H61C | 162.7° | 52.2° |
| C2 | C1 | C6 | H62C | 78.6° | 172.7° |
| C1 | C6 | C5 | H61C | 120.6° | 119.7° |
| C1 | C6 | C5 | H62C | 120.7° | 119.8° |
| C1 | C6 | C5 | C4 | 5.1° | 48.6° |
| C6 | C1 | C2 | H21C | 176.5° | 69.6° |
| C6 | C1 | C2 | H22C | 55.8° | 171.0° |
| C6 | C1 | H11C | H12C | 118.7° | 120.4° |
| C1 | C6 | H61C | H62C | 118.1° | 120.5° |
| C1 | C6 | C5 | H51C | 125.6° | 169.0° |
| C1 | C6 | C5 | H52C | 115.5° | 71.3° |
| C6 | C5 | C4 | H51C | 120.5° | 120.3° |
| C6 | C5 | C4 | H52C | 120.6° | 120.0° |
| C6 | C5 | C4 | O40 | 150.3° | 162.6° |
| C5 | C6 | C1 | H11C | 78.4° | 172.7° |
| C5 | C6 | C1 | H12C | 162.5° | 52.3° |
| C5 | C6 | H61C | H62C | 118.1° | 120.6° |
| C6 | C5 | H51C | H52C | 118.3° | 119.7° |
| C4 | C5 | C6 | H61C | 115.5° | 71.1° |
| C4 | C5 | C6 | H62C | 125.8° | 168.4° |
| C4 | C5 | H51C | H52C | 118.3° | 119.7° |
| O40 | C4 | C5 | H51C | 29.7° | 42.3° |
| O40 | C4 | C5 | H52C | 89.2° | 77.4° |
| H36 | C36 | C35 | H35 | 0.2° | 0.3° |
| H30 | N30 | C22 | H221 | 31.9° | 120.0° |
| H30 | N30 | C22 | H222 | 150.9° | 120.0° |
| H221 | C22 | C19 | H19 | 68.6° | 55.2° |
| H222 | C22 | C19 | H19 | 50.4° | 175.2° |
| H19 | C19 | N18 | H18 | 138.9° | 156.3° |
| H231 | C23 | C24 | H24 | 42.0° | 37.7° |
| H232 | C23 | C24 | H24 | 164.9° | 160.1° |
| H261 | C26 | C25 | H251 | 45.9° | 23.3° |
| H261 | C26 | C25 | H252 | 78.0° | 100.0° |
| H262 | C26 | C25 | H251 | 168.7° | 144.4° |
| H262 | C26 | C25 | H252 | 44.8° | 21.1° |
| H24 | C24 | C25 | H251 | 178.5° | 159.1° |
| H24 | C24 | C25 | H252 | 54.5° | 35.8° |
| H291 | C29 | H292 | H293 | 120.0° | 120.0° |
| H281 | C28 | H282 | H283 | 120.0° | 120.1° |
| H10 | C10 | C11 | H11 | 0.6° | 0.1° |
| H11 | C11 | C12 | H12 | 0.2° | 0.0° |
| H21C | C2 | C1 | H11C | 63.0° | 50.2° |
| H21C | C2 | C1 | H12C | 56.1° | 170.7° |
| H22C | C2 | C1 | H11C | 176.2° | 69.2° |
| H22C | C2 | C1 | H12C | 64.6° | 51.2° |
| H11C | C1 | C6 | H61C | 42.3° | 67.5° |
| H11C | C1 | C6 | H62C | 161.0° | 52.9° |
| H12C | C1 | C6 | H61C | 76.9° | 172.0° |
| H12C | C1 | C6 | H62C | 41.9° | 67.5° |
| H61C | C6 | C5 | H51C | 5.0° | 49.4° |
| H61C | C6 | C5 | H52C | 123.9° | 169.1° |
| H62C | C6 | C5 | H51C | 113.7° | 71.2° |
| H62C | C6 | C5 | H52C | 5.2° | 48.5° |
