I52
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | C39 | sing | 1.53Å | 1.51Å | |
| C38 | C37 | sing | 1.53Å | 1.52Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.09Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.09Å | |
| C37 | C36 | sing | 1.53Å | 1.52Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C35 | C32 | sing | 1.51Å | 1.51Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C25 | C23 | sing | 1.53Å | 1.53Å | |
| C25 | H251 | sing | 1.09Å | 1.09Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.09Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | H241 | sing | 1.09Å | 1.09Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.09Å | |
| N8 | C7 | sing | 1.47Å | 1.47Å | |
| N8 | C9 | sing | 1.47Å | 1.50Å | |
| N8 | C13 | sing | 1.47Å | 1.50Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.09Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| O11 | C12 | sing | 1.43Å | 1.45Å | |
| O11 | C10 | sing | 1.43Å | 1.45Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.09Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C31 | C30 | doub | 1.38Å | 1.43Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.44Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.09Å | |
| C23 | C4 | sing | 1.53Å | 1.57Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| O26 | C3 | doub | 1.21Å | 1.23Å | |
| C4 | N5 | sing | 1.46Å | 1.50Å | |
| C4 | C3 | sing | 1.51Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | N5 | sing | 1.46Å | 1.49Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.09Å | |
| S14 | N5 | sing | 1.66Å | 1.70Å | |
| S14 | O21 | doub | 1.42Å | 1.45Å | |
| S14 | C15 | sing | 1.76Å | 1.78Å | |
| S14 | O22 | doub | 1.42Å | 1.44Å | |
| C3 | N2 | sing | 1.35Å | 1.38Å | |
| O1 | N2 | sing | 1.42Å | 1.41Å | |
| O1 | H1 | sing | 0.97Å | 0.99Å | |
| N2 | H2 | sing | 0.97Å | 1.03Å | |
| O41 | C28 | doub | 1.22Å | 1.22Å | |
| C28 | N27 | sing | 1.35Å | 1.40Å | |
| C28 | C29 | sing | 1.48Å | 1.49Å | |
| N27 | C18 | sing | 1.40Å | 1.43Å | |
| N27 | H27 | sing | 0.97Å | 1.03Å | |
| C29 | C34 | doub | 1.39Å | 1.44Å | Aromatic |
| C29 | C30 | sing | 1.40Å | 1.44Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.43Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.44Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.09Å | |
| C34 | H34 | sing | 1.08Å | 1.09Å | |
| C30 | H30 | sing | 1.08Å | 1.09Å | |
| C16 | C15 | doub | 1.38Å | 1.43Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.43Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.09Å | |
| C18 | C17 | doub | 1.39Å | 1.45Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.44Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.43Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.44Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.09Å | |
| C17 | H17 | sing | 1.08Å | 1.09Å | |
| C19 | H19 | sing | 1.08Å | 1.09Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | C38 | C37 | 112.1° | 109.4° |
| C39 | C38 | H381 | 107.6° | 109.5° |
| C39 | C38 | H382 | 110.1° | 109.4° |
| C38 | C39 | H391 | 110.4° | 109.4° |
| C38 | C39 | H392 | 110.4° | 109.5° |
| C38 | C39 | H393 | 111.3° | 109.5° |
| C37 | C38 | H381 | 108.3° | 109.5° |
| C37 | C38 | H382 | 110.7° | 109.5° |
| C38 | C37 | C36 | 111.8° | 109.4° |
| C38 | C37 | H371 | 107.9° | 109.4° |
| C38 | C37 | H372 | 110.5° | 109.5° |
| H381 | C38 | H382 | 108.0° | 109.5° |
| H391 | C39 | H392 | 107.4° | 109.5° |
| H391 | C39 | H393 | 108.5° | 109.4° |
| H392 | C39 | H393 | 108.7° | 109.5° |
| C36 | C37 | H371 | 108.0° | 109.5° |
| C36 | C37 | H372 | 110.5° | 109.5° |
| C37 | C36 | C35 | 111.7° | 109.4° |
| C37 | C36 | H361 | 107.9° | 109.4° |
| C37 | C36 | H362 | 110.5° | 109.4° |
| H371 | C37 | H372 | 108.0° | 109.5° |
| C36 | C35 | C32 | 112.4° | 109.5° |
| C36 | C35 | H351 | 108.4° | 109.5° |
| C36 | C35 | H352 | 111.1° | 109.5° |
| C35 | C36 | H361 | 108.1° | 109.5° |
| C35 | C36 | H362 | 110.9° | 109.5° |
| C32 | C35 | H351 | 107.7° | 109.5° |
| C32 | C35 | H352 | 110.3° | 109.5° |
| C35 | C32 | C31 | 120.3° | 119.8° |
| C35 | C32 | C33 | 120.4° | 119.9° |
| H351 | C35 | H352 | 106.7° | 109.5° |
| H361 | C36 | H362 | 107.6° | 109.5° |
| C23 | C25 | H251 | 111.8° | 109.5° |
| C23 | C25 | H252 | 110.0° | 109.5° |
| C23 | C25 | H253 | 111.4° | 109.5° |
| C25 | C23 | C24 | 109.0° | 109.5° |
| C25 | C23 | C4 | 111.1° | 109.5° |
| C25 | C23 | H23 | 107.0° | 109.5° |
| H251 | C25 | H252 | 107.0° | 109.4° |
| H251 | C25 | H253 | 108.7° | 109.5° |
| H252 | C25 | H253 | 107.8° | 109.4° |
| C23 | C24 | H241 | 111.6° | 109.5° |
| C23 | C24 | H242 | 110.0° | 109.5° |
| C23 | C24 | H243 | 112.1° | 109.4° |
| C24 | C23 | C4 | 113.3° | 109.4° |
| C24 | C23 | H23 | 107.7° | 109.5° |
| H241 | C24 | H242 | 106.7° | 109.5° |
| H241 | C24 | H243 | 109.0° | 109.5° |
| H242 | C24 | H243 | 107.3° | 109.4° |
| C7 | N8 | C9 | 115.3° | 106.7° |
| C7 | N8 | C13 | 112.4° | 106.7° |
| N8 | C7 | C6 | 119.8° | 109.5° |
| N8 | C7 | H71 | 106.9° | 109.4° |
| N8 | C7 | H72 | 106.5° | 109.5° |
| C9 | N8 | C13 | 110.7° | 106.7° |
| N8 | C9 | C10 | 115.7° | 109.5° |
| N8 | C9 | H91 | 105.6° | 109.4° |
| N8 | C9 | H92 | 111.6° | 109.5° |
| N8 | C13 | C12 | 115.8° | 109.5° |
| N8 | C13 | H131 | 108.9° | 109.5° |
| N8 | C13 | H132 | 108.0° | 109.4° |
| C6 | C7 | H71 | 107.6° | 109.4° |
| C6 | C7 | H72 | 109.6° | 109.5° |
| C7 | C6 | N5 | 114.5° | 109.5° |
| C7 | C6 | H61 | 107.1° | 109.5° |
| C7 | C6 | H62 | 111.7° | 109.5° |
| H71 | C7 | H72 | 105.5° | 109.5° |
| C10 | C9 | H91 | 106.7° | 109.5° |
| C10 | C9 | H92 | 110.5° | 109.5° |
| C9 | C10 | O11 | 112.1° | 109.7° |
| C9 | C10 | H101 | 110.2° | 109.4° |
| C9 | C10 | H102 | 110.6° | 109.4° |
| H91 | C9 | H92 | 106.0° | 109.4° |
| C12 | C13 | H131 | 107.8° | 109.5° |
| C12 | C13 | H132 | 108.9° | 109.5° |
| C13 | C12 | O11 | 112.4° | 109.8° |
| C13 | C12 | H121 | 108.4° | 109.5° |
| C13 | C12 | H122 | 112.2° | 109.4° |
| H131 | C13 | H132 | 107.1° | 109.4° |
| C12 | O11 | C10 | 113.5° | 107.2° |
| O11 | C12 | H121 | 106.3° | 109.4° |
| O11 | C12 | H122 | 109.5° | 109.4° |
| O11 | C10 | H101 | 107.2° | 109.4° |
| O11 | C10 | H102 | 108.5° | 109.4° |
| H121 | C12 | H122 | 107.8° | 109.4° |
| H101 | C10 | H102 | 108.1° | 109.4° |
| C30 | C31 | C32 | 120.5° | 120.1° |
| C30 | C31 | H31 | 119.3° | 119.9° |
| C31 | C30 | C29 | 119.9° | 119.9° |
| C31 | C30 | H30 | 119.0° | 120.1° |
| C32 | C31 | H31 | 120.2° | 119.9° |
| C31 | C32 | C33 | 119.2° | 120.3° |
| C4 | C23 | H23 | 108.4° | 109.5° |
| C23 | C4 | N5 | 113.9° | 109.5° |
| C23 | C4 | C3 | 110.5° | 109.5° |
| C23 | C4 | H4 | 106.7° | 109.5° |
| O26 | C3 | C4 | 125.5° | 120.0° |
| O26 | C3 | N2 | 121.2° | 120.0° |
| N5 | C4 | C3 | 113.1° | 109.4° |
| N5 | C4 | H4 | 108.8° | 109.6° |
| C4 | N5 | C6 | 117.2° | 120.1° |
| C4 | N5 | S14 | 121.9° | 120.0° |
| C3 | C4 | H4 | 102.9° | 109.4° |
| C4 | C3 | N2 | 113.3° | 120.0° |
| N5 | C6 | H61 | 107.1° | 109.4° |
| N5 | C6 | H62 | 109.6° | 109.5° |
| C6 | N5 | S14 | 120.9° | 120.0° |
| H61 | C6 | H62 | 106.4° | 109.5° |
| N5 | S14 | O21 | 107.9° | 105.8° |
| N5 | S14 | C15 | 106.1° | 107.4° |
| N5 | S14 | O22 | 107.6° | 105.8° |
| O21 | S14 | C15 | 109.6° | 105.8° |
| O21 | S14 | O22 | 119.2° | 125.4° |
| C15 | S14 | O22 | 105.7° | 105.8° |
| S14 | C15 | C16 | 119.3° | 119.9° |
| S14 | C15 | C20 | 120.7° | 120.0° |
| C3 | N2 | O1 | 115.1° | 120.0° |
| C3 | N2 | H2 | 122.5° | 120.0° |
| N2 | O1 | H1 | 102.6° | 106.8° |
| O1 | N2 | H2 | 122.5° | 120.0° |
| O41 | C28 | N27 | 126.5° | 120.0° |
| O41 | C28 | C29 | 117.8° | 120.0° |
| N27 | C28 | C29 | 115.6° | 120.0° |
| C28 | N27 | C18 | 128.5° | 120.0° |
| C28 | N27 | H27 | 115.7° | 120.0° |
| C28 | C29 | C34 | 118.8° | 120.1° |
| C28 | C29 | C30 | 121.2° | 120.2° |
| C18 | N27 | H27 | 115.8° | 120.0° |
| N27 | C18 | C17 | 118.3° | 120.1° |
| N27 | C18 | C19 | 123.4° | 120.1° |
| C34 | C29 | C30 | 119.9° | 119.7° |
| C29 | C34 | C33 | 120.0° | 119.9° |
| C29 | C34 | H34 | 120.3° | 120.1° |
| C29 | C30 | H30 | 121.1° | 120.0° |
| C34 | C33 | C32 | 120.4° | 120.1° |
| C34 | C33 | H33 | 119.2° | 119.9° |
| C33 | C34 | H34 | 119.7° | 120.0° |
| C32 | C33 | H33 | 120.4° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.1° |
| C15 | C16 | H16 | 121.0° | 120.0° |
| C16 | C15 | C20 | 120.0° | 120.1° |
| C17 | C16 | H16 | 119.1° | 119.9° |
| C16 | C17 | C18 | 121.0° | 119.9° |
| C16 | C17 | H17 | 118.4° | 120.0° |
| C17 | C18 | C19 | 118.3° | 119.9° |
| C18 | C17 | H17 | 120.6° | 120.1° |
| C18 | C19 | C20 | 120.8° | 119.9° |
| C18 | C19 | H19 | 121.6° | 120.0° |
| C15 | C20 | C19 | 120.0° | 120.1° |
| C15 | C20 | H20 | 121.2° | 119.9° |
| C19 | C20 | H20 | 118.8° | 120.0° |
| C20 | C19 | H19 | 117.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | C38 | C37 | H381 | 118.5° | 120.0° |
| C39 | C38 | C37 | H382 | 123.3° | 120.0° |
| C39 | C38 | H381 | H382 | 118.8° | 120.0° |
| C38 | C39 | H391 | H392 | 120.4° | 120.0° |
| C38 | C39 | H391 | H393 | 122.3° | 120.0° |
| C38 | C39 | H392 | H393 | 122.3° | 120.1° |
| C39 | C38 | C37 | C36 | 96.0° | 180.0° |
| C39 | C38 | C37 | H371 | 145.4° | 60.0° |
| C39 | C38 | C37 | H372 | 27.5° | 60.0° |
| C37 | C38 | H381 | H382 | 119.9° | 120.1° |
| C37 | C38 | C39 | H391 | 177.3° | 180.0° |
| C37 | C38 | C39 | H392 | 58.7° | 60.0° |
| C37 | C38 | C39 | H393 | 62.0° | 60.1° |
| C38 | C37 | C36 | H371 | 118.6° | 119.9° |
| C38 | C37 | C36 | H372 | 123.5° | 120.0° |
| C38 | C37 | H371 | H372 | 119.4° | 120.0° |
| C38 | C37 | C36 | C35 | 170.9° | 180.0° |
| C38 | C37 | C36 | H361 | 70.4° | 60.0° |
| C38 | C37 | C36 | H362 | 47.0° | 60.0° |
| H381 | C38 | C39 | H391 | 58.5° | 60.0° |
| H381 | C38 | C39 | H392 | 60.2° | 60.0° |
| H381 | C38 | C39 | H393 | 179.1° | 179.9° |
| H381 | C38 | C37 | C36 | 145.6° | 60.0° |
| H381 | C38 | C37 | H371 | 26.9° | 180.0° |
| H381 | C38 | C37 | H372 | 91.0° | 60.0° |
| H382 | C38 | C39 | H391 | 59.0° | 60.0° |
| H382 | C38 | C39 | H392 | 177.6° | 180.0° |
| H382 | C38 | C39 | H393 | 61.7° | 59.9° |
| H382 | C38 | C37 | C36 | 27.4° | 60.0° |
| H382 | C38 | C37 | H371 | 91.3° | 59.9° |
| H382 | C38 | C37 | H372 | 150.8° | 180.0° |
| H391 | C39 | H392 | H393 | 117.2° | 120.0° |
| C36 | C37 | H371 | H372 | 119.5° | 120.1° |
| C37 | C36 | C35 | H361 | 118.6° | 120.0° |
| C37 | C36 | C35 | H362 | 123.7° | 120.0° |
| C37 | C36 | C35 | C32 | 154.2° | 180.0° |
| C37 | C36 | C35 | H351 | 86.9° | 60.0° |
| C37 | C36 | C35 | H352 | 30.1° | 60.0° |
| C37 | C36 | H361 | H362 | 119.2° | 120.0° |
| H371 | C37 | C36 | C35 | 70.5° | 60.1° |
| H371 | C37 | C36 | H361 | 48.1° | 179.9° |
| H371 | C37 | C36 | H362 | 165.6° | 59.9° |
| H372 | C37 | C36 | C35 | 47.4° | 60.0° |
| H372 | C37 | C36 | H361 | 166.1° | 60.0° |
| H372 | C37 | C36 | H362 | 76.5° | 180.0° |
| C36 | C35 | C32 | H351 | 119.4° | 120.0° |
| C36 | C35 | C32 | H352 | 124.5° | 120.0° |
| C36 | C35 | H351 | H352 | 119.7° | 120.0° |
| C35 | C36 | H361 | H362 | 119.8° | 120.1° |
| C36 | C35 | C32 | C31 | 115.8° | 90.1° |
| C36 | C35 | C32 | C33 | 64.9° | 90.3° |
| C32 | C35 | H351 | H352 | 118.4° | 120.0° |
| C32 | C35 | C36 | H361 | 87.2° | 60.0° |
| C32 | C35 | C36 | H362 | 30.5° | 60.1° |
| C35 | C32 | C31 | C30 | 179.3° | 180.0° |
| C35 | C32 | C31 | C33 | 179.4° | 179.6° |
| C35 | C32 | C31 | H31 | 1.0° | 0.1° |
| C35 | C32 | C33 | C34 | 179.2° | 179.8° |
| C35 | C32 | C33 | H33 | 0.9° | 0.3° |
| H351 | C35 | C36 | H361 | 31.7° | 180.0° |
| H351 | C35 | C36 | H362 | 149.4° | 60.0° |
| H351 | C35 | C32 | C31 | 3.6° | 29.9° |
| H351 | C35 | C32 | C33 | 175.8° | 149.7° |
| H352 | C35 | C36 | H361 | 148.6° | 60.0° |
| H352 | C35 | C36 | H362 | 93.6° | 179.9° |
| H352 | C35 | C32 | C31 | 119.7° | 149.9° |
| H352 | C35 | C32 | C33 | 59.7° | 29.7° |
| C23 | C25 | H251 | H252 | 120.6° | 120.0° |
| C23 | C25 | H251 | H253 | 123.3° | 120.1° |
| C23 | C25 | H252 | H253 | 121.6° | 120.0° |
| C25 | C23 | C24 | C4 | 124.2° | 120.0° |
| C25 | C23 | C24 | H23 | 115.8° | 120.0° |
| C25 | C23 | C24 | H241 | 51.9° | 60.0° |
| C25 | C23 | C24 | H242 | 66.2° | 179.9° |
| C25 | C23 | C24 | H243 | 174.5° | 60.0° |
| C25 | C23 | C4 | H23 | 117.3° | 120.0° |
| C25 | C23 | C4 | N5 | 163.2° | 60.1° |
| C25 | C23 | C4 | C3 | 68.1° | 180.0° |
| C25 | C23 | C4 | H4 | 43.1° | 60.0° |
| H251 | C25 | H252 | H253 | 116.7° | 120.0° |
| H251 | C25 | C23 | C24 | 105.9° | 60.0° |
| H251 | C25 | C23 | C4 | 128.6° | 180.0° |
| H251 | C25 | C23 | H23 | 10.4° | 60.0° |
| H252 | C25 | C23 | C24 | 135.3° | 180.0° |
| H252 | C25 | C23 | C4 | 9.8° | 60.0° |
| H252 | C25 | C23 | H23 | 108.4° | 60.0° |
| H253 | C25 | C23 | C24 | 15.9° | 60.0° |
| H253 | C25 | C23 | C4 | 109.7° | 60.0° |
| H253 | C25 | C23 | H23 | 132.2° | 180.0° |
| C23 | C24 | H241 | H242 | 120.2° | 120.0° |
| C23 | C24 | H241 | H243 | 124.3° | 119.9° |
| C23 | C24 | H242 | H243 | 122.1° | 119.9° |
| C24 | C23 | C4 | H23 | 119.6° | 120.0° |
| C24 | C23 | C4 | N5 | 40.1° | 179.9° |
| C24 | C23 | C4 | C3 | 168.8° | 60.0° |
| C24 | C23 | C4 | H4 | 80.0° | 60.0° |
| H241 | C24 | H242 | H243 | 116.7° | 120.0° |
| H241 | C24 | C23 | C4 | 176.2° | 60.0° |
| H241 | C24 | C23 | H23 | 63.9° | 180.0° |
| H242 | C24 | C23 | C4 | 58.0° | 60.1° |
| H242 | C24 | C23 | H23 | 177.9° | 59.9° |
| H243 | C24 | C23 | C4 | 61.3° | 180.0° |
| H243 | C24 | C23 | H23 | 58.7° | 60.0° |
| C7 | N8 | C9 | C13 | 129.0° | 113.8° |
| N8 | C7 | C6 | H71 | 122.3° | 119.9° |
| N8 | C7 | C6 | H72 | 123.5° | 120.1° |
| N8 | C7 | H71 | H72 | 113.1° | 120.0° |
| C7 | N8 | C9 | C10 | 89.1° | 173.1° |
| C7 | N8 | C9 | H91 | 153.2° | 53.1° |
| C7 | N8 | C9 | H92 | 38.4° | 66.9° |
| C7 | N8 | C13 | C12 | 83.4° | 173.1° |
| C7 | N8 | C13 | H131 | 38.3° | 66.8° |
| C7 | N8 | C13 | H132 | 154.3° | 53.1° |
| N8 | C7 | C6 | N5 | 167.4° | 180.0° |
| N8 | C7 | C6 | H61 | 74.0° | 60.1° |
| N8 | C7 | C6 | H62 | 42.1° | 59.9° |
| C9 | N8 | C7 | C6 | 51.6° | 180.0° |
| C9 | N8 | C7 | H71 | 71.0° | 60.0° |
| C9 | N8 | C7 | H72 | 176.6° | 59.9° |
| N8 | C9 | C10 | H91 | 117.2° | 120.0° |
| N8 | C9 | C10 | H92 | 128.0° | 120.0° |
| N8 | C9 | H91 | H92 | 118.5° | 119.9° |
| C9 | N8 | C13 | C12 | 47.2° | 59.3° |
| C9 | N8 | C13 | H131 | 168.9° | 179.4° |
| C9 | N8 | C13 | H132 | 75.1° | 60.7° |
| N8 | C9 | C10 | O11 | 9.5° | 62.9° |
| N8 | C9 | C10 | H101 | 128.8° | 177.0° |
| N8 | C9 | C10 | H102 | 111.7° | 57.2° |
| C13 | N8 | C7 | C6 | 76.5° | 66.2° |
| C13 | N8 | C7 | H71 | 160.8° | 53.7° |
| C13 | N8 | C7 | H72 | 48.4° | 173.7° |
| C13 | N8 | C9 | C10 | 40.0° | 59.3° |
| C13 | N8 | C9 | H91 | 77.8° | 60.7° |
| C13 | N8 | C9 | H92 | 167.4° | 179.3° |
| N8 | C13 | C12 | H131 | 122.2° | 120.1° |
| N8 | C13 | C12 | H132 | 121.8° | 120.0° |
| N8 | C13 | H131 | H132 | 116.6° | 119.9° |
| N8 | C13 | C12 | O11 | 4.0° | 62.8° |
| N8 | C13 | C12 | H121 | 121.1° | 177.1° |
| N8 | C13 | C12 | H122 | 119.9° | 57.2° |
| C6 | C7 | H71 | H72 | 116.9° | 120.0° |
| C7 | C6 | N5 | C4 | 115.7° | 89.9° |
| C7 | C6 | N5 | H61 | 118.6° | 120.0° |
| C7 | C6 | N5 | H62 | 126.4° | 120.1° |
| C7 | C6 | H61 | H62 | 119.6° | 120.1° |
| C7 | C6 | N5 | S14 | 65.9° | 90.0° |
| H71 | C7 | C6 | N5 | 70.3° | 60.1° |
| H71 | C7 | C6 | H61 | 48.3° | 180.0° |
| H71 | C7 | C6 | H62 | 164.4° | 60.0° |
| H72 | C7 | C6 | N5 | 43.9° | 59.9° |
| H72 | C7 | C6 | H61 | 162.5° | 60.0° |
| H72 | C7 | C6 | H62 | 81.4° | 180.0° |
| C10 | C9 | H91 | H92 | 117.8° | 120.0° |
| C9 | C10 | O11 | C12 | 56.2° | 63.1° |
| C9 | C10 | O11 | H101 | 121.0° | 120.1° |
| C9 | C10 | O11 | H102 | 122.4° | 120.1° |
| C9 | C10 | H101 | H102 | 121.0° | 119.9° |
| H91 | C9 | C10 | O11 | 126.7° | 57.1° |
| H91 | C9 | C10 | H101 | 114.0° | 63.0° |
| H91 | C9 | C10 | H102 | 5.5° | 177.2° |
| H92 | C9 | C10 | O11 | 118.4° | 177.1° |
| H92 | C9 | C10 | H101 | 0.9° | 57.0° |
| H92 | C9 | C10 | H102 | 120.3° | 62.8° |
| C12 | C13 | H131 | H132 | 117.0° | 120.0° |
| C13 | C12 | O11 | H121 | 118.4° | 120.2° |
| C13 | C12 | O11 | H122 | 125.4° | 120.1° |
| C13 | C12 | O11 | C10 | 49.1° | 63.1° |
| C13 | C12 | H121 | H122 | 121.7° | 119.9° |
| H131 | C13 | C12 | O11 | 126.2° | 177.1° |
| H131 | C13 | C12 | H121 | 116.6° | 57.0° |
| H131 | C13 | C12 | H122 | 2.3° | 62.8° |
| H132 | C13 | C12 | O11 | 117.9° | 57.1° |
| H132 | C13 | C12 | H121 | 0.7° | 63.0° |
| H132 | C13 | C12 | H122 | 118.2° | 177.2° |
| O11 | C12 | H121 | H122 | 117.3° | 119.8° |
| C12 | O11 | C10 | H101 | 177.3° | 176.8° |
| C12 | O11 | C10 | H102 | 66.2° | 56.9° |
| C10 | O11 | C12 | H121 | 69.3° | 176.7° |
| C10 | O11 | C12 | H122 | 174.5° | 57.0° |
| O11 | C10 | H101 | H102 | 116.8° | 119.8° |
| C30 | C31 | C32 | H31 | 179.7° | 179.9° |
| C31 | C30 | C29 | C28 | 178.6° | 180.0° |
| C31 | C30 | C29 | C34 | 0.3° | 0.0° |
| C31 | C30 | C29 | H30 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.4° |
| C32 | C31 | C30 | C29 | 0.1° | 0.1° |
| C31 | C32 | C33 | C34 | 0.1° | 0.6° |
| C31 | C32 | C33 | H33 | 179.7° | 179.9° |
| C32 | C31 | C30 | H30 | 180.0° | 179.9° |
| H31 | C31 | C30 | C29 | 179.8° | 180.0° |
| H31 | C31 | C32 | C33 | 179.6° | 179.7° |
| H31 | C31 | C30 | H30 | 0.2° | 0.0° |
| C23 | C4 | C3 | O26 | 55.1° | 90.0° |
| C23 | C4 | N5 | C3 | 127.4° | 119.9° |
| C23 | C4 | N5 | H4 | 118.9° | 120.1° |
| C23 | C4 | C3 | H4 | 113.6° | 120.0° |
| C23 | C4 | N5 | C6 | 51.4° | 59.9° |
| C23 | C4 | N5 | S14 | 130.1° | 120.0° |
| C23 | C4 | C3 | N2 | 125.0° | 90.0° |
| H23 | C23 | C4 | N5 | 79.5° | 59.9° |
| H23 | C23 | C4 | C3 | 49.2° | 60.0° |
| H23 | C23 | C4 | H4 | 160.4° | 180.0° |
| O26 | C3 | C4 | N5 | 74.0° | 30.0° |
| O26 | C3 | C4 | N2 | 179.8° | 180.0° |
| O26 | C3 | C4 | H4 | 168.8° | 150.0° |
| O26 | C3 | N2 | O1 | 0.1° | 0.0° |
| O26 | C3 | N2 | H2 | 179.8° | 180.0° |
| N5 | C4 | C3 | H4 | 117.2° | 120.0° |
| C4 | N5 | C6 | S14 | 178.5° | 179.9° |
| C4 | N5 | C6 | H61 | 125.8° | 30.1° |
| C4 | N5 | C6 | H62 | 10.8° | 150.0° |
| C4 | N5 | S14 | O21 | 17.1° | 157.4° |
| C4 | N5 | S14 | C15 | 100.3° | 90.0° |
| C4 | N5 | S14 | O22 | 146.9° | 22.5° |
| N5 | C4 | C3 | N2 | 105.8° | 150.1° |
| C3 | C4 | N5 | C6 | 75.9° | 60.0° |
| C3 | C4 | N5 | S14 | 102.5° | 120.1° |
| C4 | C3 | N2 | O1 | 179.9° | 180.0° |
| C4 | C3 | N2 | H2 | 0.0° | 0.0° |
| H4 | C4 | N5 | C6 | 170.4° | 180.0° |
| H4 | C4 | N5 | S14 | 11.2° | 0.1° |
| H4 | C4 | C3 | N2 | 11.4° | 30.0° |
| N5 | C6 | H61 | H62 | 117.2° | 119.9° |
| C6 | N5 | S14 | O21 | 164.5° | 22.6° |
| C6 | N5 | S14 | C15 | 78.2° | 90.1° |
| C6 | N5 | S14 | O22 | 34.6° | 157.4° |
| H61 | C6 | N5 | S14 | 52.7° | 150.0° |
| H62 | C6 | N5 | S14 | 167.7° | 30.1° |
| N5 | S14 | O21 | C15 | 115.1° | 113.7° |
| N5 | S14 | O21 | O22 | 122.9° | 123.2° |
| N5 | S14 | C15 | O22 | 114.1° | 112.6° |
| N5 | S14 | C15 | C16 | 46.3° | 90.0° |
| N5 | S14 | C15 | C20 | 132.0° | 90.1° |
| O21 | S14 | C15 | O22 | 129.7° | 134.8° |
| O21 | S14 | C15 | C16 | 162.5° | 157.4° |
| O21 | S14 | C15 | C20 | 15.8° | 22.6° |
| S14 | C15 | C16 | C20 | 178.3° | 179.9° |
| S14 | C15 | C16 | C17 | 178.2° | 180.0° |
| S14 | C15 | C16 | H16 | 2.1° | 0.0° |
| S14 | C15 | C20 | C19 | 178.1° | 179.7° |
| S14 | C15 | C20 | H20 | 2.0° | 0.0° |
| O22 | S14 | C15 | C16 | 67.8° | 22.6° |
| O22 | S14 | C15 | C20 | 113.9° | 157.4° |
| C3 | N2 | O1 | H2 | 179.9° | 180.0° |
| C3 | N2 | O1 | H1 | 176.1° | 180.0° |
| H1 | O1 | N2 | H2 | 3.9° | 0.0° |
| O41 | C28 | N27 | C29 | 179.9° | 180.0° |
| O41 | C28 | N27 | C18 | 0.4° | 5.6° |
| O41 | C28 | N27 | H27 | 179.5° | 174.4° |
| O41 | C28 | C29 | C34 | 172.9° | 180.0° |
| O41 | C28 | C29 | C30 | 6.0° | 0.0° |
| C28 | N27 | C18 | H27 | 179.9° | 179.9° |
| N27 | C28 | C29 | C34 | 7.2° | 0.1° |
| N27 | C28 | C29 | C30 | 173.9° | 180.0° |
| C28 | N27 | C18 | C17 | 0.3° | 37.6° |
| C28 | N27 | C18 | C19 | 178.5° | 142.6° |
| C29 | C28 | N27 | C18 | 179.7° | 174.4° |
| C29 | C28 | N27 | H27 | 0.4° | 5.6° |
| C28 | C29 | C34 | C30 | 178.9° | 180.0° |
| C28 | C29 | C34 | C33 | 178.7° | 179.8° |
| C28 | C29 | C34 | H34 | 1.5° | 0.1° |
| C28 | C29 | C30 | H30 | 1.3° | 0.0° |
| N27 | C18 | C17 | C16 | 178.7° | 180.0° |
| N27 | C18 | C17 | C19 | 179.0° | 179.8° |
| N27 | C18 | C19 | C20 | 178.6° | 179.7° |
| N27 | C18 | C17 | H17 | 1.5° | 0.0° |
| N27 | C18 | C19 | H19 | 1.2° | 0.2° |
| H27 | N27 | C18 | C17 | 179.8° | 142.4° |
| H27 | N27 | C18 | C19 | 1.3° | 37.4° |
| C29 | C34 | C33 | H34 | 179.8° | 179.9° |
| C29 | C34 | C33 | C32 | 0.1° | 0.5° |
| C29 | C34 | C33 | H33 | 179.9° | 180.0° |
| C34 | C29 | C30 | H30 | 179.8° | 180.0° |
| C30 | C29 | C34 | C33 | 0.3° | 0.2° |
| C30 | C29 | C34 | H34 | 179.6° | 179.9° |
| C34 | C33 | C32 | H33 | 179.8° | 179.5° |
| C32 | C33 | C34 | H34 | 179.8° | 179.6° |
| H33 | C33 | C34 | H34 | 0.1° | 0.1° |
| C15 | C16 | C17 | H16 | 179.7° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C16 | C15 | C20 | C19 | 0.2° | 0.3° |
| C16 | C15 | C20 | H20 | 179.8° | 180.0° |
| C15 | C16 | C17 | H17 | 179.7° | 180.0° |
| C16 | C17 | C18 | H17 | 179.8° | 180.0° |
| C16 | C17 | C18 | C19 | 0.3° | 0.2° |
| C17 | C16 | C15 | C20 | 0.1° | 0.1° |
| H16 | C16 | C17 | C18 | 179.8° | 180.0° |
| H16 | C16 | C15 | C20 | 179.6° | 180.0° |
| H16 | C16 | C17 | H17 | 0.0° | 0.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.5° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C18 | C19 | C20 | C15 | 0.0° | 0.5° |
| C18 | C19 | C20 | H19 | 179.9° | 179.5° |
| C18 | C19 | C20 | H20 | 180.0° | 179.8° |
| C19 | C18 | C17 | H17 | 179.5° | 179.8° |
| C15 | C20 | C19 | H20 | 179.9° | 179.7° |
| C15 | C20 | C19 | H19 | 179.9° | 180.0° |
| H20 | C20 | C19 | H19 | 0.2° | 0.3° |
