XMC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.36Å | 1.45Å | Aromatic |
| C1 | C6 | doub | 1.40Å | 1.46Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C5 | doub | 1.39Å | 1.48Å | Aromatic |
| C2 | S12 | sing | 1.76Å | 1.74Å | |
| C3 | C4 | doub | 1.40Å | 1.47Å | Aromatic |
| C3 | C6 | sing | 1.42Å | 1.54Å | Aromatic |
| C3 | C9 | sing | 1.40Å | 1.45Å | Aromatic |
| C4 | C5 | sing | 1.36Å | 1.43Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | sing | 1.41Å | 1.47Å | Aromatic |
| CL7 | C11 | sing | 1.74Å | 1.53Å | |
| C8 | C10 | doub | 1.36Å | 1.43Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C11 | doub | 1.36Å | 1.44Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.39Å | 1.48Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| S12 | O13 | doub | 1.42Å | 1.55Å | |
| S12 | N17 | sing | 1.65Å | 1.72Å | |
| S12 | O29 | doub | 1.42Å | 1.54Å | |
| C14 | O15 | doub | 1.21Å | 1.23Å | |
| C14 | C16 | sing | 1.50Å | 1.58Å | |
| C14 | N28 | sing | 1.33Å | 1.46Å | |
| C16 | N17 | sing | 1.47Å | 1.50Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| N17 | C27 | sing | 1.47Å | 1.50Å | |
| C18 | C19 | sing | 1.51Å | 1.61Å | |
| C18 | C27 | sing | 1.53Å | 1.56Å | |
| C18 | N28 | sing | 1.46Å | 1.53Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | O20 | doub | 1.21Å | 1.24Å | |
| C19 | N21 | sing | 1.35Å | 1.44Å | |
| N21 | C22 | sing | 1.47Å | 1.53Å | |
| N21 | C25 | sing | 1.47Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.57Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | O24 | sing | 1.43Å | 1.47Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| O24 | C26 | sing | 1.43Å | 1.47Å | |
| C25 | C26 | sing | 1.53Å | 1.57Å | |
| 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 | |
| N28 | C30 | sing | 1.47Å | 1.51Å | |
| C30 | C38 | sing | 1.53Å | 1.57Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | C34 | doub | 1.38Å | 1.44Å | Aromatic |
| C31 | N40 | sing | 1.32Å | 1.38Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N32 | C33 | sing | 1.39Å | 1.51Å | |
| N32 | C35 | sing | 1.47Å | 1.55Å | |
| N32 | C37 | sing | 1.47Å | 1.55Å | |
| C33 | C34 | sing | 1.39Å | 1.49Å | Aromatic |
| C33 | C36 | doub | 1.39Å | 1.48Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C39 | sing | 1.53Å | 1.57Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | C41 | sing | 1.38Å | 1.44Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | C42 | sing | 1.53Å | 1.56Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.57Å | |
| C38 | C42 | sing | 1.53Å | 1.58Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| N40 | C41 | doub | 1.32Å | 1.38Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.5° | 119.7° |
| C2 | C1 | H1 | 119.3° | 120.2° |
| C1 | C2 | C5 | 118.8° | 121.0° |
| C1 | C2 | S12 | 120.7° | 119.5° |
| C6 | C1 | H1 | 119.3° | 120.2° |
| C1 | C6 | C3 | 118.7° | 119.4° |
| C1 | C6 | C8 | 122.9° | 121.3° |
| C5 | C2 | S12 | 120.5° | 119.5° |
| C2 | C5 | C4 | 122.3° | 121.0° |
| C2 | C5 | H5 | 118.8° | 119.6° |
| C2 | S12 | O13 | 110.9° | 105.8° |
| C2 | S12 | N17 | 110.5° | 107.4° |
| C2 | S12 | O29 | 110.6° | 105.7° |
| C4 | C3 | C6 | 118.6° | 119.3° |
| C4 | C3 | C9 | 122.7° | 121.3° |
| C3 | C4 | C5 | 120.2° | 119.7° |
| C3 | C4 | H4 | 119.9° | 120.2° |
| C6 | C3 | C9 | 118.7° | 119.4° |
| C3 | C6 | C8 | 118.4° | 119.4° |
| C3 | C9 | C11 | 121.4° | 119.7° |
| C3 | C9 | H9 | 119.3° | 120.1° |
| C5 | C4 | H4 | 119.9° | 120.1° |
| C4 | C5 | H5 | 118.8° | 119.5° |
| C6 | C8 | C10 | 120.1° | 119.6° |
| C6 | C8 | H8 | 119.9° | 120.2° |
| CL7 | C11 | C9 | 119.9° | 119.5° |
| CL7 | C11 | C10 | 120.3° | 119.6° |
| C10 | C8 | H8 | 119.9° | 120.2° |
| C8 | C10 | C11 | 121.7° | 121.0° |
| C8 | C10 | H10 | 119.2° | 119.5° |
| C11 | C9 | H9 | 119.3° | 120.2° |
| C9 | C11 | C10 | 119.7° | 120.9° |
| C11 | C10 | H10 | 119.2° | 119.5° |
| O13 | S12 | N17 | 108.9° | 105.8° |
| O13 | S12 | O29 | 109.2° | 125.4° |
| N17 | S12 | O29 | 106.6° | 105.8° |
| S12 | N17 | C16 | 118.8° | 121.4° |
| S12 | N17 | C27 | 117.5° | 121.3° |
| O15 | C14 | C16 | 118.0° | 118.5° |
| O15 | C14 | N28 | 124.4° | 118.5° |
| C16 | C14 | N28 | 117.6° | 123.0° |
| C14 | C16 | N17 | 117.9° | 109.1° |
| C14 | C16 | H161 | 104.8° | 109.6° |
| C14 | C16 | H162 | 106.8° | 109.5° |
| C14 | N28 | C18 | 121.7° | 124.6° |
| C14 | N28 | C30 | 119.3° | 117.7° |
| N17 | C16 | H161 | 104.8° | 109.7° |
| N17 | C16 | H162 | 106.8° | 109.2° |
| C16 | N17 | C27 | 115.1° | 117.3° |
| H161 | C16 | H162 | 116.3° | 109.7° |
| N17 | C27 | C18 | 111.4° | 108.2° |
| N17 | C27 | H271 | 108.4° | 109.7° |
| N17 | C27 | H272 | 108.8° | 109.7° |
| C19 | C18 | C27 | 107.2° | 109.2° |
| C19 | C18 | N28 | 109.3° | 109.2° |
| C19 | C18 | H18 | 111.7° | 109.2° |
| C18 | C19 | O20 | 117.6° | 120.0° |
| C18 | C19 | N21 | 120.8° | 120.0° |
| C27 | C18 | N28 | 111.4° | 110.8° |
| C27 | C18 | H18 | 109.7° | 109.2° |
| C18 | C27 | H271 | 108.4° | 109.7° |
| C18 | C27 | H272 | 108.8° | 109.7° |
| N28 | C18 | H18 | 107.5° | 109.2° |
| C18 | N28 | C30 | 119.0° | 117.8° |
| O20 | C19 | N21 | 121.6° | 120.0° |
| C19 | N21 | C22 | 129.0° | 121.3° |
| C19 | N21 | C25 | 119.4° | 121.2° |
| C22 | N21 | C25 | 111.5° | 117.5° |
| N21 | C22 | C23 | 111.0° | 108.2° |
| N21 | C22 | H221 | 108.6° | 109.7° |
| N21 | C22 | H222 | 109.0° | 109.7° |
| N21 | C25 | C26 | 111.0° | 108.4° |
| N21 | C25 | H251 | 108.6° | 109.9° |
| N21 | C25 | H252 | 109.0° | 109.4° |
| C23 | C22 | H221 | 108.6° | 109.7° |
| C23 | C22 | H222 | 108.9° | 109.7° |
| C22 | C23 | O24 | 113.5° | 109.6° |
| C22 | C23 | H231 | 107.3° | 109.5° |
| C22 | C23 | H232 | 108.2° | 109.4° |
| H221 | C22 | H222 | 110.7° | 109.7° |
| O24 | C23 | H231 | 107.2° | 109.4° |
| O24 | C23 | H232 | 108.2° | 109.4° |
| C23 | O24 | C26 | 112.5° | 107.8° |
| H231 | C23 | H232 | 112.6° | 109.5° |
| O24 | C26 | C25 | 112.6° | 109.7° |
| O24 | C26 | H261 | 107.7° | 109.5° |
| O24 | C26 | H262 | 108.4° | 109.4° |
| C26 | C25 | H251 | 108.6° | 109.7° |
| C26 | C25 | H252 | 108.9° | 109.7° |
| C25 | C26 | H261 | 107.7° | 109.5° |
| C25 | C26 | H262 | 108.4° | 109.3° |
| H251 | C25 | H252 | 110.7° | 109.7° |
| H261 | C26 | H262 | 112.0° | 109.5° |
| H271 | C27 | H272 | 111.0° | 109.8° |
| N28 | C30 | C38 | 119.6° | 109.5° |
| N28 | C30 | H301 | 103.9° | 109.5° |
| N28 | C30 | H302 | 106.2° | 109.4° |
| C38 | C30 | H301 | 103.9° | 109.5° |
| C38 | C30 | H302 | 106.3° | 109.4° |
| C30 | C38 | C39 | 111.3° | 109.5° |
| C30 | C38 | C42 | 114.6° | 109.6° |
| C30 | C38 | H38 | 104.7° | 109.6° |
| H301 | C30 | H302 | 117.8° | 109.4° |
| C34 | C31 | N40 | 122.7° | 120.8° |
| C34 | C31 | H31 | 118.6° | 119.6° |
| C31 | C34 | C33 | 119.6° | 119.1° |
| C31 | C34 | H34 | 120.2° | 120.4° |
| N40 | C31 | H31 | 118.7° | 119.6° |
| C31 | N40 | C41 | 119.4° | 121.9° |
| C33 | N32 | C35 | 121.0° | 106.7° |
| C33 | N32 | C37 | 120.8° | 106.7° |
| N32 | C33 | C34 | 122.0° | 120.8° |
| N32 | C33 | C36 | 122.1° | 120.9° |
| C35 | N32 | C37 | 118.3° | 107.3° |
| N32 | C35 | C39 | 119.3° | 109.8° |
| N32 | C35 | H351 | 104.0° | 109.5° |
| N32 | C35 | H352 | 106.3° | 109.4° |
| N32 | C37 | C42 | 119.1° | 109.8° |
| N32 | C37 | H371 | 104.1° | 109.4° |
| N32 | C37 | H372 | 106.4° | 109.4° |
| C34 | C33 | C36 | 115.9° | 118.3° |
| C33 | C34 | H34 | 120.2° | 120.5° |
| C33 | C36 | C41 | 119.5° | 119.1° |
| C33 | C36 | H36 | 120.3° | 120.4° |
| C39 | C35 | H351 | 104.0° | 109.4° |
| C39 | C35 | H352 | 106.3° | 109.4° |
| C35 | C39 | C38 | 114.7° | 109.2° |
| C35 | C39 | H391 | 106.6° | 109.5° |
| C35 | C39 | H392 | 107.8° | 109.5° |
| H351 | C35 | H352 | 117.5° | 109.3° |
| C41 | C36 | H36 | 120.2° | 120.4° |
| C36 | C41 | N40 | 122.9° | 120.8° |
| C36 | C41 | H41 | 118.6° | 119.6° |
| C42 | C37 | H371 | 104.1° | 109.4° |
| C42 | C37 | H372 | 106.4° | 109.4° |
| C37 | C42 | C38 | 114.4° | 109.2° |
| C37 | C42 | H421 | 106.7° | 109.5° |
| C37 | C42 | H422 | 107.8° | 109.6° |
| H371 | C37 | H372 | 117.4° | 109.4° |
| C39 | C38 | C42 | 109.9° | 108.9° |
| C39 | C38 | H38 | 109.8° | 109.5° |
| C38 | C39 | H391 | 106.6° | 109.6° |
| C38 | C39 | H392 | 107.8° | 109.5° |
| C42 | C38 | H38 | 106.2° | 109.6° |
| C38 | C42 | H421 | 106.7° | 109.5° |
| C38 | C42 | H422 | 107.9° | 109.5° |
| H391 | C39 | H392 | 113.6° | 109.5° |
| N40 | C41 | H41 | 118.6° | 119.6° |
| H421 | C42 | H422 | 113.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C1 | C2 | C5 | S12 | 179.8° | 180.0° |
| C2 | C1 | C6 | C3 | 0.0° | 0.0° |
| C1 | C2 | C5 | C4 | 0.0° | 0.0° |
| C1 | C2 | C5 | H5 | 180.0° | 180.0° |
| C2 | C1 | C6 | C8 | 179.9° | 179.9° |
| C1 | C2 | S12 | O13 | 27.0° | 157.4° |
| C1 | C2 | S12 | N17 | 93.9° | 89.9° |
| C1 | C2 | S12 | O29 | 148.2° | 22.6° |
| C6 | C1 | C2 | C5 | 0.0° | 0.0° |
| C6 | C1 | C2 | S12 | 179.8° | 180.0° |
| C1 | C6 | C3 | C4 | 0.1° | 0.0° |
| C1 | C6 | C3 | C8 | 179.9° | 180.0° |
| C1 | C6 | C3 | C9 | 180.0° | 179.7° |
| C1 | C6 | C8 | C10 | 179.9° | 180.0° |
| C1 | C6 | C8 | H8 | 0.1° | 0.0° |
| H1 | C1 | C2 | C5 | 180.0° | 179.9° |
| H1 | C1 | C2 | S12 | 0.2° | 0.1° |
| H1 | C1 | C6 | C3 | 180.0° | 179.9° |
| H1 | C1 | C6 | C8 | 0.1° | 0.0° |
| C2 | C5 | C4 | C3 | 0.0° | 0.1° |
| C2 | C5 | C4 | H5 | 180.0° | 180.0° |
| C2 | C5 | C4 | H4 | 180.0° | 180.0° |
| C5 | C2 | S12 | O13 | 153.3° | 22.6° |
| C5 | C2 | S12 | N17 | 85.9° | 90.0° |
| C5 | C2 | S12 | O29 | 32.0° | 157.4° |
| S12 | C2 | C5 | C4 | 179.8° | 180.0° |
| S12 | C2 | C5 | H5 | 0.2° | 0.0° |
| C2 | S12 | O13 | N17 | 121.8° | 113.8° |
| C2 | S12 | O13 | O29 | 122.1° | 123.1° |
| C2 | S12 | N17 | O29 | 120.3° | 112.6° |
| C2 | S12 | N17 | C16 | 77.0° | 90.3° |
| C2 | S12 | N17 | C27 | 69.5° | 90.0° |
| C4 | C3 | C6 | C9 | 180.0° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | C3 | C6 | C8 | 179.9° | 179.9° |
| C4 | C3 | C9 | C11 | 179.8° | 179.7° |
| C4 | C3 | C9 | H9 | 0.2° | 0.0° |
| C6 | C3 | C4 | C5 | 0.1° | 0.1° |
| C6 | C3 | C4 | H4 | 180.0° | 180.0° |
| C3 | C6 | C8 | C10 | 0.0° | 0.1° |
| C3 | C6 | C8 | H8 | 180.0° | 180.0° |
| C6 | C3 | C9 | C11 | 0.1° | 0.6° |
| C6 | C3 | C9 | H9 | 179.9° | 179.7° |
| C9 | C3 | C4 | C5 | 180.0° | 179.7° |
| C9 | C3 | C4 | H4 | 0.0° | 0.2° |
| C9 | C3 | C6 | C8 | 0.1° | 0.3° |
| C3 | C9 | C11 | CL7 | 177.3° | 179.7° |
| C3 | C9 | C11 | H9 | 180.0° | 179.7° |
| C3 | C9 | C11 | C10 | 0.1° | 0.6° |
| H4 | C4 | C5 | H5 | 0.0° | 0.0° |
| C6 | C8 | C10 | H8 | 180.0° | 179.9° |
| C6 | C8 | C10 | C11 | 0.1° | 0.1° |
| C6 | C8 | C10 | H10 | 179.9° | 180.0° |
| CL7 | C11 | C10 | C8 | 177.4° | 180.0° |
| CL7 | C11 | C9 | C10 | 177.4° | 179.7° |
| CL7 | C11 | C9 | H9 | 2.7° | 0.1° |
| CL7 | C11 | C10 | H10 | 2.6° | 0.0° |
| C8 | C10 | C11 | C9 | 0.0° | 0.3° |
| C8 | C10 | C11 | H10 | 180.0° | 180.0° |
| H8 | C8 | C10 | C11 | 179.9° | 180.0° |
| H8 | C8 | C10 | H10 | 0.1° | 0.0° |
| C9 | C11 | C10 | H10 | 180.0° | 179.7° |
| H9 | C9 | C11 | C10 | 179.9° | 179.8° |
| O13 | S12 | N17 | O29 | 117.7° | 134.8° |
| O13 | S12 | N17 | C16 | 45.0° | 157.1° |
| O13 | S12 | N17 | C27 | 168.5° | 22.6° |
| S12 | N17 | C16 | C14 | 174.8° | 137.3° |
| S12 | N17 | C16 | C27 | 147.2° | 179.7° |
| S12 | N17 | C16 | H161 | 58.7° | 17.3° |
| S12 | N17 | C16 | H162 | 65.2° | 103.0° |
| S12 | N17 | C27 | C18 | 157.5° | 118.5° |
| S12 | N17 | C27 | H271 | 83.3° | 121.9° |
| S12 | N17 | C27 | H272 | 37.5° | 1.2° |
| O29 | S12 | N17 | C16 | 162.7° | 22.3° |
| O29 | S12 | N17 | C27 | 50.8° | 157.4° |
| O15 | C14 | C16 | N28 | 179.4° | 179.8° |
| O15 | C14 | C16 | N17 | 179.4° | 167.4° |
| O15 | C14 | C16 | H161 | 63.3° | 47.3° |
| O15 | C14 | C16 | H162 | 60.6° | 73.1° |
| O15 | C14 | N28 | C18 | 179.7° | 175.7° |
| O15 | C14 | N28 | C30 | 0.5° | 4.3° |
| C14 | C16 | N17 | H161 | 116.0° | 120.0° |
| C14 | C16 | N17 | H162 | 120.0° | 119.7° |
| C14 | C16 | H161 | H162 | 117.6° | 120.2° |
| C14 | C16 | N17 | C27 | 27.5° | 42.4° |
| C16 | C14 | N28 | C18 | 0.9° | 4.1° |
| C16 | C14 | N28 | C30 | 178.9° | 175.9° |
| N28 | C14 | C16 | N17 | 0.1° | 12.4° |
| N28 | C14 | C16 | H161 | 116.1° | 132.5° |
| N28 | C14 | C16 | H162 | 119.9° | 107.2° |
| C14 | N28 | C18 | C19 | 90.9° | 142.2° |
| C14 | N28 | C18 | C27 | 27.4° | 21.9° |
| C14 | N28 | C18 | C30 | 179.8° | 180.0° |
| C14 | N28 | C18 | H18 | 147.6° | 98.4° |
| C14 | N28 | C30 | C38 | 91.6° | 84.0° |
| C14 | N28 | C30 | H301 | 153.3° | 36.1° |
| C14 | N28 | C30 | H302 | 28.5° | 156.1° |
| N17 | C16 | H161 | H162 | 117.6° | 120.0° |
| C16 | N17 | C27 | C18 | 54.8° | 61.2° |
| C16 | N17 | C27 | H271 | 64.4° | 58.4° |
| C16 | N17 | C27 | H272 | 174.8° | 179.1° |
| H161 | C16 | N17 | C27 | 88.5° | 162.4° |
| H162 | C16 | N17 | C27 | 147.5° | 77.3° |
| N17 | C27 | C18 | C19 | 65.8° | 167.0° |
| N17 | C27 | C18 | H271 | 119.2° | 119.6° |
| N17 | C27 | C18 | H272 | 120.0° | 119.7° |
| N17 | C27 | C18 | N28 | 53.8° | 46.7° |
| N17 | C27 | C18 | H18 | 172.7° | 73.6° |
| N17 | C27 | H271 | H272 | 119.5° | 120.7° |
| C19 | C18 | C27 | N28 | 119.6° | 120.3° |
| C19 | C18 | C27 | H18 | 121.5° | 119.3° |
| C19 | C18 | N28 | H18 | 121.5° | 119.4° |
| C18 | C19 | O20 | N21 | 179.4° | 180.0° |
| C18 | C19 | N21 | C22 | 0.4° | 174.4° |
| C18 | C19 | N21 | C25 | 179.3° | 5.9° |
| C19 | C18 | C27 | H271 | 175.0° | 47.4° |
| C19 | C18 | C27 | H272 | 54.2° | 73.3° |
| C19 | C18 | N28 | C30 | 89.3° | 37.8° |
| C27 | C18 | N28 | H18 | 120.2° | 120.3° |
| C27 | C18 | C19 | O20 | 106.7° | 87.9° |
| C27 | C18 | C19 | N21 | 72.6° | 92.2° |
| C18 | C27 | H271 | H272 | 119.5° | 120.7° |
| C27 | C18 | N28 | C30 | 152.4° | 158.1° |
| N28 | C18 | C19 | O20 | 14.2° | 33.4° |
| N28 | C18 | C19 | N21 | 166.5° | 146.5° |
| N28 | C18 | C27 | H271 | 65.4° | 72.9° |
| N28 | C18 | C27 | H272 | 173.8° | 166.4° |
| C18 | N28 | C30 | C38 | 88.3° | 96.0° |
| C18 | N28 | C30 | H301 | 26.8° | 143.9° |
| C18 | N28 | C30 | H302 | 151.7° | 23.9° |
| H18 | C18 | C19 | O20 | 133.1° | 152.8° |
| H18 | C18 | C19 | N21 | 47.6° | 27.2° |
| H18 | C18 | C27 | H271 | 53.5° | 166.8° |
| H18 | C18 | C27 | H272 | 67.3° | 46.1° |
| H18 | C18 | N28 | C30 | 32.2° | 81.6° |
| O20 | C19 | N21 | C22 | 179.7° | 5.5° |
| O20 | C19 | N21 | C25 | 0.1° | 174.1° |
| C19 | N21 | C22 | C25 | 179.7° | 179.7° |
| C19 | N21 | C22 | C23 | 127.9° | 132.9° |
| C19 | N21 | C22 | H221 | 112.8° | 107.5° |
| C19 | N21 | C22 | H222 | 7.9° | 13.2° |
| C19 | N21 | C25 | C26 | 126.7° | 133.0° |
| C19 | N21 | C25 | H251 | 7.4° | 13.0° |
| C19 | N21 | C25 | H252 | 113.3° | 107.5° |
| N21 | C22 | C23 | H221 | 119.3° | 119.6° |
| N21 | C22 | C23 | H222 | 120.0° | 119.7° |
| N21 | C22 | H221 | H222 | 119.6° | 120.6° |
| N21 | C22 | C23 | O24 | 52.0° | 55.8° |
| N21 | C22 | C23 | H231 | 170.3° | 175.9° |
| N21 | C22 | C23 | H232 | 68.0° | 64.2° |
| C22 | N21 | C25 | C26 | 53.0° | 46.7° |
| C22 | N21 | C25 | H251 | 172.3° | 166.6° |
| C22 | N21 | C25 | H252 | 67.0° | 72.9° |
| C25 | N21 | C22 | C23 | 51.8° | 46.8° |
| C25 | N21 | C22 | H221 | 67.6° | 72.9° |
| C25 | N21 | C22 | H222 | 171.8° | 166.5° |
| N21 | C25 | C26 | O24 | 54.2° | 55.5° |
| N21 | C25 | C26 | H251 | 119.4° | 120.0° |
| N21 | C25 | C26 | H252 | 120.0° | 119.4° |
| N21 | C25 | H251 | H252 | 119.6° | 120.3° |
| N21 | C25 | C26 | H261 | 172.8° | 175.7° |
| N21 | C25 | C26 | H262 | 65.8° | 64.4° |
| C23 | C22 | H221 | H222 | 119.6° | 120.7° |
| C22 | C23 | O24 | H231 | 118.3° | 120.1° |
| C22 | C23 | O24 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 118.9° | 120.0° |
| C22 | C23 | O24 | C26 | 53.4° | 68.8° |
| H221 | C22 | C23 | O24 | 67.3° | 63.8° |
| H221 | C22 | C23 | H231 | 50.9° | 56.2° |
| H221 | C22 | C23 | H232 | 172.7° | 176.2° |
| H222 | C22 | C23 | O24 | 172.0° | 175.5° |
| H222 | C22 | C23 | H231 | 69.7° | 64.5° |
| H222 | C22 | C23 | H232 | 52.0° | 55.5° |
| O24 | C23 | H231 | H232 | 118.9° | 119.9° |
| C23 | O24 | C26 | C25 | 54.2° | 68.6° |
| C23 | O24 | C26 | H261 | 172.9° | 171.2° |
| C23 | O24 | C26 | H262 | 65.7° | 51.3° |
| H231 | C23 | O24 | C26 | 171.7° | 171.2° |
| H232 | C23 | O24 | C26 | 66.6° | 51.3° |
| O24 | C26 | C25 | H261 | 118.6° | 120.2° |
| O24 | C26 | C25 | H262 | 120.0° | 119.9° |
| O24 | C26 | C25 | H251 | 173.5° | 175.5° |
| O24 | C26 | C25 | H252 | 65.8° | 63.9° |
| O24 | C26 | H261 | H262 | 119.1° | 120.0° |
| C26 | C25 | H251 | H252 | 119.6° | 120.6° |
| C25 | C26 | H261 | H262 | 119.1° | 119.7° |
| H251 | C25 | C26 | H261 | 67.8° | 64.3° |
| H251 | C25 | C26 | H262 | 53.6° | 55.6° |
| H252 | C25 | C26 | H261 | 52.9° | 56.3° |
| H252 | C25 | C26 | H262 | 174.2° | 176.2° |
| N28 | C30 | C38 | H301 | 115.1° | 120.1° |
| N28 | C30 | C38 | H302 | 120.0° | 119.9° |
| N28 | C30 | H301 | H302 | 117.1° | 120.0° |
| N28 | C30 | C38 | C39 | 124.0° | 180.0° |
| N28 | C30 | C38 | C42 | 1.5° | 60.5° |
| N28 | C30 | C38 | H38 | 117.4° | 59.8° |
| C38 | C30 | H301 | H302 | 117.1° | 120.0° |
| C30 | C38 | C39 | C35 | 179.7° | 175.4° |
| C30 | C38 | C42 | C37 | 179.6° | 175.4° |
| C30 | C38 | C39 | C42 | 128.1° | 119.9° |
| C30 | C38 | C39 | H38 | 115.5° | 120.2° |
| C30 | C38 | C42 | H38 | 115.0° | 120.3° |
| C30 | C38 | C39 | H391 | 62.0° | 64.6° |
| C30 | C38 | C39 | H392 | 60.3° | 55.5° |
| C30 | C38 | C42 | H421 | 62.6° | 55.5° |
| C30 | C38 | C42 | H422 | 59.6° | 64.6° |
| H301 | C30 | C38 | C39 | 8.9° | 59.9° |
| H301 | C30 | C38 | C42 | 116.6° | 179.4° |
| H301 | C30 | C38 | H38 | 127.5° | 60.2° |
| H302 | C30 | C38 | C39 | 116.0° | 60.1° |
| H302 | C30 | C38 | C42 | 118.5° | 59.4° |
| H302 | C30 | C38 | H38 | 2.6° | 179.8° |
| C34 | C31 | N40 | H31 | 180.0° | 179.9° |
| C31 | C34 | C33 | N32 | 179.9° | 179.9° |
| C31 | C34 | C33 | H34 | 180.0° | 179.9° |
| C31 | C34 | C33 | C36 | 0.0° | 0.2° |
| C34 | C31 | N40 | C41 | 0.0° | 0.1° |
| N40 | C31 | C34 | C33 | 0.0° | 0.1° |
| N40 | C31 | C34 | H34 | 180.0° | 180.0° |
| C31 | N40 | C41 | C36 | 0.0° | 0.3° |
| C31 | N40 | C41 | H41 | 180.0° | 180.0° |
| H31 | C31 | C34 | C33 | 179.9° | 180.0° |
| H31 | C31 | C34 | H34 | 0.1° | 0.1° |
| H31 | C31 | N40 | C41 | 179.9° | 180.0° |
| C33 | N32 | C35 | C37 | 179.9° | 114.1° |
| N32 | C33 | C34 | C36 | 179.9° | 179.7° |
| N32 | C33 | C34 | H34 | 0.1° | 0.0° |
| C33 | N32 | C35 | C39 | 174.7° | 179.7° |
| C33 | N32 | C35 | H351 | 59.4° | 59.6° |
| C33 | N32 | C35 | H352 | 65.3° | 60.2° |
| N32 | C33 | C36 | C41 | 180.0° | 179.7° |
| N32 | C33 | C36 | H36 | 0.0° | 0.3° |
| C33 | N32 | C37 | C42 | 176.5° | 179.7° |
| C33 | N32 | C37 | H371 | 68.1° | 59.6° |
| C33 | N32 | C37 | H372 | 56.5° | 60.2° |
| C35 | N32 | C33 | C34 | 180.0° | 180.0° |
| C35 | N32 | C33 | C36 | 0.1° | 0.3° |
| N32 | C35 | C39 | H351 | 115.3° | 120.2° |
| N32 | C35 | C39 | H352 | 120.0° | 120.1° |
| N32 | C35 | H351 | H352 | 117.2° | 119.8° |
| C35 | N32 | C37 | C42 | 3.4° | 65.6° |
| C35 | N32 | C37 | H371 | 111.9° | 54.4° |
| C35 | N32 | C37 | H372 | 123.4° | 174.3° |
| N32 | C35 | C39 | C38 | 23.4° | 61.4° |
| N32 | C35 | C39 | H391 | 141.1° | 178.7° |
| N32 | C35 | C39 | H392 | 96.6° | 58.5° |
| C37 | N32 | C33 | C34 | 0.1° | 65.5° |
| C37 | N32 | C33 | C36 | 180.0° | 114.2° |
| C37 | N32 | C35 | C39 | 5.3° | 65.6° |
| C37 | N32 | C35 | H351 | 120.5° | 54.5° |
| C37 | N32 | C35 | H352 | 114.7° | 174.3° |
| N32 | C37 | C42 | H371 | 115.4° | 120.1° |
| N32 | C37 | C42 | H372 | 120.0° | 120.1° |
| N32 | C37 | H371 | H372 | 117.2° | 119.9° |
| N32 | C37 | C42 | C38 | 26.9° | 61.4° |
| N32 | C37 | C42 | H421 | 90.9° | 58.5° |
| N32 | C37 | C42 | H422 | 146.9° | 178.7° |
| C34 | C33 | C36 | C41 | 0.0° | 0.6° |
| C34 | C33 | C36 | H36 | 180.0° | 180.0° |
| C36 | C33 | C34 | H34 | 180.0° | 179.7° |
| C33 | C36 | C41 | H36 | 180.0° | 179.4° |
| C33 | C36 | C41 | N40 | 0.0° | 0.6° |
| C33 | C36 | C41 | H41 | 180.0° | 179.7° |
| C39 | C35 | H351 | H352 | 117.2° | 119.8° |
| C35 | C39 | C38 | H391 | 117.7° | 120.0° |
| C35 | C39 | C38 | H392 | 120.0° | 119.9° |
| C35 | C39 | C38 | C42 | 52.2° | 55.5° |
| C35 | C39 | C38 | H38 | 64.2° | 64.4° |
| C35 | C39 | H391 | H392 | 118.6° | 120.1° |
| H351 | C35 | C39 | C38 | 91.8° | 58.8° |
| H351 | C35 | C39 | H391 | 25.9° | 61.2° |
| H351 | C35 | C39 | H392 | 148.2° | 178.7° |
| H352 | C35 | C39 | C38 | 143.4° | 178.5° |
| H352 | C35 | C39 | H391 | 98.9° | 58.5° |
| H352 | C35 | C39 | H392 | 23.4° | 61.6° |
| C36 | C41 | N40 | H41 | 180.0° | 179.7° |
| H36 | C36 | C41 | N40 | 179.9° | 180.0° |
| H36 | C36 | C41 | H41 | 0.0° | 0.3° |
| C42 | C37 | H371 | H372 | 117.3° | 119.8° |
| C37 | C42 | C38 | C39 | 54.2° | 55.5° |
| C37 | C42 | C38 | H421 | 117.8° | 119.9° |
| C37 | C42 | C38 | H422 | 120.0° | 120.0° |
| C37 | C42 | C38 | H38 | 64.6° | 64.3° |
| C37 | C42 | H421 | H422 | 118.6° | 120.2° |
| H371 | C37 | C42 | C38 | 142.2° | 58.7° |
| H371 | C37 | C42 | H421 | 24.4° | 178.6° |
| H371 | C37 | C42 | H422 | 97.8° | 61.2° |
| H372 | C37 | C42 | C38 | 93.1° | 178.5° |
| H372 | C37 | C42 | H421 | 149.1° | 61.6° |
| H372 | C37 | C42 | H422 | 26.9° | 58.6° |
| C39 | C38 | C42 | H38 | 118.8° | 119.9° |
| C38 | C39 | H391 | H392 | 118.5° | 120.2° |
| C39 | C38 | C42 | H421 | 63.6° | 64.3° |
| C39 | C38 | C42 | H422 | 174.2° | 175.5° |
| C42 | C38 | C39 | H391 | 169.9° | 175.5° |
| C42 | C38 | C39 | H392 | 67.8° | 64.3° |
| C38 | C42 | H421 | H422 | 118.6° | 120.1° |
| H38 | C38 | C39 | H391 | 53.4° | 55.6° |
| H38 | C38 | C39 | H392 | 175.7° | 175.7° |
| H38 | C38 | C42 | H421 | 177.6° | 175.8° |
| H38 | C38 | C42 | H422 | 55.4° | 55.7° |
