HYB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | O2 | doub | 1.42Å | 1.44Å | |
| S1 | O3 | doub | 1.42Å | 1.43Å | |
| S1 | C36 | sing | 1.81Å | 1.79Å | |
| S1 | C38 | sing | 1.81Å | 1.84Å | |
| C4 | C5 | doub | 1.36Å | 1.36Å | Aromatic |
| C4 | C9 | sing | 1.41Å | 1.44Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.39Å | 1.45Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | doub | 1.36Å | 1.35Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.41Å | 1.50Å | Aromatic |
| C7 | C35 | sing | 1.51Å | 1.54Å | |
| C8 | C9 | doub | 1.42Å | 1.40Å | Aromatic |
| C8 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.41Å | 1.44Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | doub | 1.36Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| O14 | C15 | sing | 1.43Å | 1.47Å | |
| O14 | HO4 | sing | 0.97Å | 0.95Å | |
| C15 | C17 | sing | 1.53Å | 1.55Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| N16 | C17 | sing | 1.46Å | 1.47Å | |
| N16 | C27 | sing | 1.35Å | 1.38Å | |
| N16 | HN6 | sing | 0.97Å | 1.02Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | H17 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| N25 | C26 | sing | 1.46Å | 1.49Å | |
| N25 | C32 | sing | 1.35Å | 1.36Å | |
| N25 | HN5 | sing | 0.97Å | 1.02Å | |
| C26 | C27 | sing | 1.51Å | 1.58Å | |
| C26 | C29 | sing | 1.53Å | 1.55Å | |
| C26 | H26 | sing | 1.09Å | 1.12Å | |
| C27 | O28 | doub | 1.21Å | 1.22Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | C31 | sing | 1.53Å | 1.55Å | |
| C29 | H29 | sing | 1.09Å | 1.11Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C30 | H303 | sing | 1.09Å | 1.12Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C31 | H313 | sing | 1.09Å | 1.11Å | |
| C32 | O33 | doub | 1.21Å | 1.24Å | |
| C32 | C34 | sing | 1.51Å | 1.54Å | |
| C34 | C35 | sing | 1.53Å | 1.55Å | |
| C34 | C36 | sing | 1.53Å | 1.56Å | |
| C34 | H34 | sing | 1.09Å | 1.11Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C37 | C38 | sing | 1.53Å | 1.55Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.12Å | |
| C37 | H373 | sing | 1.09Å | 1.12Å | |
| C38 | C39 | sing | 1.53Å | 1.55Å | |
| C38 | C40 | sing | 1.53Å | 1.55Å | |
| C39 | H391 | sing | 1.09Å | 1.11Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C39 | H393 | sing | 1.09Å | 1.12Å | |
| C40 | H401 | sing | 1.09Å | 1.11Å | |
| C40 | H402 | sing | 1.09Å | 1.12Å | |
| C40 | H403 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S1 | O3 | 118.5° | 119.6° |
| O2 | S1 | C36 | 105.3° | 109.0° |
| O2 | S1 | C38 | 108.3° | 109.0° |
| O3 | S1 | C36 | 112.3° | 109.0° |
| O3 | S1 | C38 | 106.1° | 109.0° |
| C36 | S1 | C38 | 105.6° | 99.4° |
| S1 | C36 | C34 | 110.6° | 109.5° |
| S1 | C36 | H361 | 111.8° | 109.5° |
| S1 | C36 | H362 | 111.8° | 109.5° |
| S1 | C38 | C37 | 111.3° | 109.4° |
| S1 | C38 | C39 | 105.3° | 109.5° |
| S1 | C38 | C40 | 110.1° | 109.5° |
| C5 | C4 | C9 | 121.0° | 119.6° |
| C5 | C4 | H4 | 116.8° | 120.1° |
| C4 | C5 | C6 | 120.2° | 121.0° |
| C4 | C5 | H5 | 116.8° | 119.5° |
| C9 | C4 | H4 | 122.2° | 120.2° |
| C4 | C9 | C8 | 120.7° | 119.4° |
| C4 | C9 | C10 | 119.5° | 121.3° |
| C6 | C5 | H5 | 123.0° | 119.5° |
| C5 | C6 | C7 | 120.2° | 121.0° |
| C5 | C6 | H6 | 123.5° | 119.5° |
| C7 | C6 | H6 | 116.3° | 119.5° |
| C6 | C7 | C8 | 121.0° | 119.7° |
| C6 | C7 | C35 | 124.8° | 120.2° |
| C8 | C7 | C35 | 114.1° | 120.2° |
| C7 | C8 | C9 | 116.9° | 119.3° |
| C7 | C8 | C13 | 123.1° | 121.3° |
| C7 | C35 | C34 | 109.9° | 109.5° |
| C7 | C35 | H351 | 112.1° | 109.5° |
| C7 | C35 | H352 | 112.1° | 109.4° |
| C9 | C8 | C13 | 120.0° | 119.4° |
| C8 | C9 | C10 | 119.8° | 119.4° |
| C8 | C13 | C12 | 120.3° | 119.6° |
| C8 | C13 | H13 | 120.0° | 120.1° |
| C9 | C10 | C11 | 119.6° | 119.6° |
| C9 | C10 | H10 | 122.5° | 120.2° |
| C11 | C10 | H10 | 117.9° | 120.2° |
| C10 | C11 | C12 | 120.6° | 121.0° |
| C10 | C11 | H11 | 117.9° | 119.5° |
| C12 | C11 | H11 | 121.5° | 119.5° |
| C11 | C12 | C13 | 119.8° | 121.0° |
| C11 | C12 | H12 | 121.0° | 119.5° |
| C13 | C12 | H12 | 119.2° | 119.5° |
| C12 | C13 | H13 | 119.7° | 120.2° |
| C15 | O14 | HO4 | 104.9° | 106.8° |
| O14 | C15 | C17 | 104.8° | 109.5° |
| O14 | C15 | H151 | 114.0° | 109.5° |
| O14 | C15 | H152 | 113.9° | 109.5° |
| C17 | C15 | H151 | 114.0° | 109.4° |
| C17 | C15 | H152 | 113.9° | 109.5° |
| C15 | C17 | N16 | 106.7° | 109.5° |
| C15 | C17 | C18 | 111.8° | 109.4° |
| C15 | C17 | H17 | 109.2° | 109.5° |
| H151 | C15 | H152 | 96.5° | 109.5° |
| C17 | N16 | C27 | 123.1° | 120.0° |
| C17 | N16 | HN6 | 121.7° | 120.0° |
| N16 | C17 | C18 | 107.8° | 109.5° |
| N16 | C17 | H17 | 113.1° | 109.4° |
| C27 | N16 | HN6 | 115.1° | 120.0° |
| N16 | C27 | C26 | 112.4° | 120.1° |
| N16 | C27 | O28 | 122.1° | 120.0° |
| C18 | C17 | H17 | 108.2° | 109.5° |
| C17 | C18 | C19 | 120.0° | 109.5° |
| C17 | C18 | H181 | 108.4° | 109.5° |
| C17 | C18 | H182 | 108.4° | 109.5° |
| C19 | C18 | H181 | 108.5° | 109.5° |
| C19 | C18 | H182 | 108.5° | 109.5° |
| C18 | C19 | C20 | 123.4° | 120.0° |
| C18 | C19 | C24 | 119.4° | 120.0° |
| H181 | C18 | H182 | 101.5° | 109.4° |
| C20 | C19 | C24 | 117.1° | 119.9° |
| C19 | C20 | C21 | 122.9° | 120.0° |
| C19 | C20 | H20 | 118.5° | 119.9° |
| C19 | C24 | C23 | 120.9° | 120.0° |
| C19 | C24 | H24 | 119.8° | 120.0° |
| C21 | C20 | H20 | 118.7° | 120.1° |
| C20 | C21 | C22 | 118.7° | 120.1° |
| C20 | C21 | H21 | 120.7° | 120.0° |
| C22 | C21 | H21 | 120.6° | 120.0° |
| C21 | C22 | C23 | 119.6° | 120.0° |
| C21 | C22 | H22 | 120.5° | 120.0° |
| C23 | C22 | H22 | 120.0° | 120.0° |
| C22 | C23 | C24 | 120.8° | 120.0° |
| C22 | C23 | H23 | 119.4° | 120.0° |
| C24 | C23 | H23 | 119.8° | 120.0° |
| C23 | C24 | H24 | 119.3° | 120.0° |
| C26 | N25 | C32 | 124.1° | 119.9° |
| C26 | N25 | HN5 | 122.6° | 120.1° |
| N25 | C26 | C27 | 103.1° | 109.5° |
| N25 | C26 | C29 | 114.2° | 109.5° |
| N25 | C26 | H26 | 112.0° | 109.5° |
| C32 | N25 | HN5 | 113.2° | 120.0° |
| N25 | C32 | O33 | 123.1° | 120.0° |
| N25 | C32 | C34 | 115.3° | 120.0° |
| C27 | C26 | C29 | 113.0° | 109.5° |
| C27 | C26 | H26 | 113.0° | 109.4° |
| C26 | C27 | O28 | 125.4° | 120.0° |
| C29 | C26 | H26 | 101.8° | 109.5° |
| C26 | C29 | C30 | 111.3° | 109.5° |
| C26 | C29 | C31 | 106.7° | 109.5° |
| C26 | C29 | H29 | 111.3° | 109.5° |
| C30 | C29 | C31 | 112.8° | 109.5° |
| C30 | C29 | H29 | 105.0° | 109.5° |
| C29 | C30 | H301 | 111.4° | 109.4° |
| C29 | C30 | H302 | 111.5° | 109.5° |
| C29 | C30 | H303 | 111.5° | 109.5° |
| C31 | C29 | H29 | 109.8° | 109.4° |
| C29 | C31 | H311 | 106.7° | 109.4° |
| C29 | C31 | H312 | 113.2° | 109.5° |
| C29 | C31 | H313 | 113.3° | 109.4° |
| H301 | C30 | H302 | 111.6° | 109.5° |
| H301 | C30 | H303 | 111.5° | 109.5° |
| H302 | C30 | H303 | 98.8° | 109.5° |
| H311 | C31 | H312 | 113.2° | 109.5° |
| H311 | C31 | H313 | 113.3° | 109.5° |
| H312 | C31 | H313 | 97.2° | 109.5° |
| O33 | C32 | C34 | 121.4° | 120.0° |
| C32 | C34 | C35 | 105.2° | 109.5° |
| C32 | C34 | C36 | 112.7° | 109.4° |
| C32 | C34 | H34 | 110.9° | 109.5° |
| C35 | C34 | C36 | 111.5° | 109.4° |
| C35 | C34 | H34 | 112.2° | 109.5° |
| C34 | C35 | H351 | 112.1° | 109.5° |
| C34 | C35 | H352 | 112.1° | 109.5° |
| C36 | C34 | H34 | 104.6° | 109.5° |
| C34 | C36 | H361 | 111.8° | 109.4° |
| C34 | C36 | H362 | 111.8° | 109.5° |
| H351 | C35 | H352 | 98.3° | 109.5° |
| H361 | C36 | H362 | 98.6° | 109.4° |
| C38 | C37 | H371 | 111.3° | 109.5° |
| C38 | C37 | H372 | 111.5° | 109.5° |
| C38 | C37 | H373 | 111.5° | 109.5° |
| C37 | C38 | C39 | 106.9° | 109.5° |
| C37 | C38 | C40 | 112.2° | 109.5° |
| H371 | C37 | H372 | 111.6° | 109.4° |
| H371 | C37 | H373 | 111.6° | 109.5° |
| H372 | C37 | H373 | 98.8° | 109.4° |
| C39 | C38 | C40 | 110.8° | 109.5° |
| C38 | C39 | H391 | 105.2° | 109.5° |
| C38 | C39 | H392 | 113.8° | 109.5° |
| C38 | C39 | H393 | 113.7° | 109.4° |
| C38 | C40 | H401 | 110.1° | 109.5° |
| C38 | C40 | H402 | 112.0° | 109.5° |
| C38 | C40 | H403 | 112.0° | 109.5° |
| H391 | C39 | H392 | 113.9° | 109.5° |
| H391 | C39 | H393 | 113.8° | 109.4° |
| H392 | C39 | H393 | 96.7° | 109.5° |
| H401 | C40 | H402 | 112.0° | 109.5° |
| H401 | C40 | H403 | 112.0° | 109.5° |
| H402 | C40 | H403 | 98.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S1 | O3 | C36 | 123.2° | 126.2° |
| O2 | S1 | O3 | C38 | 121.9° | 126.3° |
| O2 | S1 | C36 | C38 | 114.5° | 114.0° |
| O2 | S1 | C36 | C34 | 71.7° | 72.3° |
| O2 | S1 | C36 | H361 | 53.6° | 167.7° |
| O2 | S1 | C36 | H362 | 163.1° | 47.7° |
| O2 | S1 | C38 | C37 | 177.0° | 66.0° |
| O2 | S1 | C38 | C39 | 61.5° | 174.0° |
| O2 | S1 | C38 | C40 | 57.9° | 54.0° |
| O3 | S1 | C36 | C38 | 115.2° | 113.9° |
| O3 | S1 | C36 | C34 | 58.7° | 59.8° |
| O3 | S1 | C36 | H361 | 176.1° | 60.2° |
| O3 | S1 | C36 | H362 | 66.5° | 179.8° |
| O3 | S1 | C38 | C37 | 48.8° | 66.1° |
| O3 | S1 | C38 | C39 | 66.7° | 53.9° |
| O3 | S1 | C38 | C40 | 173.9° | 173.9° |
| S1 | C36 | C34 | C32 | 84.5° | 176.0° |
| S1 | C36 | C34 | C35 | 157.5° | 64.0° |
| S1 | C36 | C34 | H361 | 125.3° | 120.1° |
| S1 | C36 | C34 | H362 | 125.2° | 120.0° |
| S1 | C36 | C34 | H34 | 36.1° | 56.0° |
| S1 | C36 | H361 | H362 | 117.7° | 120.0° |
| C36 | S1 | C38 | C37 | 70.6° | 180.0° |
| C36 | S1 | C38 | C39 | 174.0° | 60.0° |
| C36 | S1 | C38 | C40 | 54.5° | 60.0° |
| C38 | S1 | C36 | C34 | 173.9° | 173.7° |
| C38 | S1 | C36 | H361 | 60.9° | 53.7° |
| C38 | S1 | C36 | H362 | 48.6° | 66.3° |
| S1 | C38 | C37 | C39 | 114.4° | 120.0° |
| S1 | C38 | C37 | C40 | 123.9° | 120.0° |
| S1 | C38 | C37 | H371 | 180.0° | 180.0° |
| S1 | C38 | C37 | H372 | 54.7° | 60.0° |
| S1 | C38 | C37 | H373 | 54.7° | 60.0° |
| S1 | C38 | C39 | C40 | 119.0° | 120.0° |
| S1 | C38 | C39 | H391 | 180.0° | 60.0° |
| S1 | C38 | C39 | H392 | 54.7° | 60.0° |
| S1 | C38 | C39 | H393 | 54.7° | 180.0° |
| S1 | C38 | C40 | H401 | 180.0° | 60.0° |
| S1 | C38 | C40 | H402 | 54.7° | 180.0° |
| S1 | C38 | C40 | H403 | 54.7° | 60.0° |
| C5 | C4 | C9 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.0° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C4 | C9 | C8 | 0.4° | 0.2° |
| C5 | C4 | C9 | C10 | 179.5° | 180.0° |
| C9 | C4 | C5 | C6 | 0.0° | 0.0° |
| C9 | C4 | C5 | H5 | 180.0° | 180.0° |
| C4 | C9 | C8 | C7 | 0.9° | 0.4° |
| C4 | C9 | C8 | C10 | 179.9° | 179.8° |
| C4 | C9 | C8 | C13 | 179.5° | 179.7° |
| C4 | C9 | C10 | C11 | 179.3° | 179.9° |
| C4 | C9 | C10 | H10 | 0.7° | 0.1° |
| H4 | C4 | C5 | C6 | 180.0° | 180.0° |
| H4 | C4 | C5 | H5 | 0.0° | 0.0° |
| H4 | C4 | C9 | C8 | 179.6° | 179.8° |
| H4 | C4 | C9 | C10 | 0.5° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.7° | 0.2° |
| C5 | C6 | C7 | C35 | 178.7° | 180.0° |
| H5 | C5 | C6 | C7 | 179.9° | 180.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| C6 | C7 | C8 | C35 | 178.2° | 179.8° |
| C6 | C7 | C8 | C9 | 1.1° | 0.4° |
| C6 | C7 | C8 | C13 | 179.3° | 179.7° |
| C6 | C7 | C35 | C34 | 17.9° | 92.3° |
| C6 | C7 | C35 | H351 | 107.4° | 27.7° |
| C6 | C7 | C35 | H352 | 143.2° | 147.7° |
| H6 | C6 | C7 | C8 | 179.2° | 179.8° |
| H6 | C6 | C7 | C35 | 1.2° | 0.0° |
| C7 | C8 | C9 | C13 | 179.6° | 179.3° |
| C7 | C8 | C9 | C10 | 179.0° | 179.8° |
| C7 | C8 | C13 | C12 | 179.5° | 179.8° |
| C7 | C8 | C13 | H13 | 0.5° | 0.5° |
| C8 | C7 | C35 | C34 | 164.0° | 87.9° |
| C8 | C7 | C35 | H351 | 70.7° | 152.1° |
| C8 | C7 | C35 | H352 | 38.7° | 32.1° |
| C35 | C7 | C8 | C9 | 179.3° | 179.8° |
| C35 | C7 | C8 | C13 | 1.1° | 0.5° |
| C7 | C35 | C34 | C32 | 153.9° | 115.5° |
| C7 | C35 | C34 | H351 | 125.3° | 120.0° |
| C7 | C35 | C34 | H352 | 125.3° | 120.0° |
| C7 | C35 | C34 | C36 | 83.6° | 124.5° |
| C7 | C35 | C34 | H34 | 33.3° | 4.5° |
| C7 | C35 | H351 | H352 | 118.0° | 120.0° |
| C8 | C9 | C10 | C11 | 0.8° | 0.3° |
| C8 | C9 | C10 | H10 | 179.2° | 179.9° |
| C9 | C8 | C13 | C12 | 0.1° | 0.5° |
| C9 | C8 | C13 | H13 | 179.9° | 179.8° |
| C13 | C8 | C9 | C10 | 0.6° | 0.5° |
| C8 | C13 | C12 | C11 | 0.4° | 0.3° |
| C8 | C13 | C12 | H13 | 180.0° | 179.7° |
| C8 | C13 | C12 | H12 | 179.6° | 179.7° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.3° | 0.1° |
| C9 | C10 | C11 | H11 | 179.7° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.1° |
| C10 | C11 | C12 | H12 | 179.8° | 179.9° |
| H10 | C10 | C11 | C12 | 179.7° | 179.9° |
| H10 | C10 | C11 | H11 | 0.3° | 0.2° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13 | 179.7° | 180.0° |
| H11 | C11 | C12 | C13 | 179.8° | 180.0° |
| H11 | C11 | C12 | H12 | 0.2° | 0.0° |
| H12 | C12 | C13 | H13 | 0.3° | 0.0° |
| O14 | C15 | C17 | H151 | 125.3° | 120.0° |
| O14 | C15 | C17 | H152 | 125.2° | 120.0° |
| O14 | C15 | H151 | H152 | 119.8° | 120.0° |
| O14 | C15 | C17 | N16 | 60.6° | 60.0° |
| O14 | C15 | C17 | C18 | 57.1° | 60.0° |
| O14 | C15 | C17 | H17 | 176.8° | 180.0° |
| HO4 | O14 | C15 | C17 | 180.0° | 180.0° |
| HO4 | O14 | C15 | H151 | 54.7° | 60.0° |
| HO4 | O14 | C15 | H152 | 54.7° | 60.0° |
| C17 | C15 | H151 | H152 | 119.9° | 120.0° |
| C15 | C17 | N16 | C18 | 120.3° | 120.0° |
| C15 | C17 | N16 | H17 | 120.1° | 120.0° |
| C15 | C17 | N16 | C27 | 123.2° | 90.0° |
| C15 | C17 | N16 | HN6 | 56.7° | 89.9° |
| C15 | C17 | C18 | H17 | 120.3° | 120.0° |
| C15 | C17 | C18 | C19 | 167.4° | 180.0° |
| C15 | C17 | C18 | H181 | 67.3° | 59.9° |
| C15 | C17 | C18 | H182 | 42.1° | 60.0° |
| H151 | C15 | C17 | N16 | 174.1° | 60.0° |
| H151 | C15 | C17 | C18 | 68.2° | 180.0° |
| H151 | C15 | C17 | H17 | 51.5° | 60.0° |
| H152 | C15 | C17 | N16 | 64.6° | 180.0° |
| H152 | C15 | C17 | C18 | 177.7° | 60.0° |
| H152 | C15 | C17 | H17 | 58.0° | 60.0° |
| C17 | N16 | C27 | HN6 | 180.0° | 179.9° |
| N16 | C17 | C18 | H17 | 122.6° | 120.0° |
| N16 | C17 | C18 | C19 | 75.6° | 60.0° |
| N16 | C17 | C18 | H181 | 49.7° | 60.1° |
| N16 | C17 | C18 | H182 | 159.1° | 180.0° |
| C17 | N16 | C27 | C26 | 179.5° | 174.9° |
| C17 | N16 | C27 | O28 | 3.9° | 5.0° |
| C27 | N16 | C17 | C18 | 116.5° | 150.1° |
| C27 | N16 | C17 | H17 | 3.1° | 30.1° |
| N16 | C27 | C26 | N25 | 84.0° | 171.1° |
| N16 | C27 | C26 | O28 | 176.4° | 179.9° |
| N16 | C27 | C26 | C29 | 152.2° | 68.9° |
| N16 | C27 | C26 | H26 | 37.1° | 51.1° |
| HN6 | N16 | C17 | C18 | 63.6° | 30.1° |
| HN6 | N16 | C17 | H17 | 176.9° | 150.0° |
| HN6 | N16 | C27 | C26 | 0.5° | 5.2° |
| HN6 | N16 | C27 | O28 | 176.1° | 174.9° |
| C17 | C18 | C19 | H181 | 125.3° | 120.1° |
| C17 | C18 | C19 | H182 | 125.2° | 120.0° |
| C17 | C18 | H181 | H182 | 114.1° | 120.0° |
| C17 | C18 | C19 | C20 | 96.3° | 90.0° |
| C17 | C18 | C19 | C24 | 87.5° | 90.2° |
| H17 | C17 | C18 | C19 | 47.0° | 60.0° |
| H17 | C17 | C18 | H181 | 172.3° | 180.0° |
| H17 | C17 | C18 | H182 | 78.2° | 60.0° |
| C19 | C18 | H181 | H182 | 114.2° | 120.0° |
| C18 | C19 | C20 | C24 | 176.3° | 179.7° |
| C18 | C19 | C20 | C21 | 177.1° | 180.0° |
| C18 | C19 | C20 | H20 | 2.8° | 0.0° |
| C18 | C19 | C24 | C23 | 177.3° | 179.8° |
| C18 | C19 | C24 | H24 | 2.7° | 0.2° |
| H181 | C18 | C19 | C20 | 29.0° | 30.0° |
| H181 | C18 | C19 | C24 | 147.3° | 149.7° |
| H182 | C18 | C19 | C20 | 138.5° | 150.0° |
| H182 | C18 | C19 | C24 | 37.8° | 29.7° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.4° | 0.0° |
| C19 | C20 | C21 | H21 | 179.6° | 179.9° |
| C20 | C19 | C24 | C23 | 0.8° | 0.5° |
| C20 | C19 | C24 | H24 | 179.2° | 179.9° |
| C24 | C19 | C20 | C21 | 0.8° | 0.3° |
| C24 | C19 | C20 | H20 | 179.2° | 179.8° |
| C19 | C24 | C23 | C22 | 0.3° | 0.5° |
| C19 | C24 | C23 | H24 | 180.0° | 179.6° |
| C19 | C24 | C23 | H23 | 179.7° | 179.8° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.6° | 0.0° |
| C20 | C21 | C22 | H22 | 178.4° | 179.9° |
| H20 | C20 | C21 | C22 | 179.6° | 180.0° |
| H20 | C20 | C21 | H21 | 0.4° | 0.0° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 1.6° | 0.2° |
| C21 | C22 | C23 | H23 | 178.5° | 180.0° |
| H21 | C21 | C22 | C23 | 178.4° | 180.0° |
| H21 | C21 | C22 | H22 | 1.6° | 0.1° |
| C22 | C23 | C24 | H23 | 180.0° | 179.8° |
| C22 | C23 | C24 | H24 | 179.6° | 180.0° |
| H22 | C22 | C23 | C24 | 178.4° | 179.9° |
| H22 | C22 | C23 | H23 | 1.5° | 0.1° |
| H23 | C23 | C24 | H24 | 0.3° | 0.2° |
| C26 | N25 | C32 | HN5 | 180.0° | 179.9° |
| N25 | C26 | C27 | C29 | 123.8° | 120.0° |
| N25 | C26 | C27 | H26 | 121.2° | 120.0° |
| N25 | C26 | C29 | H26 | 120.9° | 120.0° |
| N25 | C26 | C27 | O28 | 99.6° | 8.9° |
| N25 | C26 | C29 | C30 | 165.7° | 66.3° |
| N25 | C26 | C29 | C31 | 70.8° | 53.7° |
| N25 | C26 | C29 | H29 | 48.9° | 173.7° |
| C26 | N25 | C32 | O33 | 1.8° | 0.0° |
| C26 | N25 | C32 | C34 | 177.8° | 180.0° |
| C32 | N25 | C26 | C27 | 135.2° | 150.0° |
| C32 | N25 | C26 | C29 | 101.7° | 90.0° |
| C32 | N25 | C26 | H26 | 13.4° | 30.1° |
| N25 | C32 | O33 | C34 | 175.8° | 180.0° |
| N25 | C32 | C34 | C35 | 100.8° | 180.0° |
| N25 | C32 | C34 | C36 | 137.5° | 60.0° |
| N25 | C32 | C34 | H34 | 20.7° | 59.9° |
| HN5 | N25 | C26 | C27 | 44.7° | 30.1° |
| HN5 | N25 | C26 | C29 | 78.3° | 90.0° |
| HN5 | N25 | C26 | H26 | 166.6° | 150.0° |
| HN5 | N25 | C32 | O33 | 178.2° | 180.0° |
| HN5 | N25 | C32 | C34 | 2.2° | 0.1° |
| C27 | C26 | C29 | H26 | 121.6° | 119.9° |
| C27 | C26 | C29 | C30 | 48.2° | 173.7° |
| C27 | C26 | C29 | C31 | 171.6° | 66.3° |
| C27 | C26 | C29 | H29 | 68.6° | 53.7° |
| C29 | C26 | C27 | O28 | 24.3° | 111.2° |
| C26 | C29 | C30 | C31 | 119.9° | 120.0° |
| C26 | C29 | C30 | H29 | 120.6° | 120.0° |
| C26 | C29 | C31 | H29 | 120.7° | 120.0° |
| C26 | C29 | C30 | H301 | 180.0° | 180.0° |
| C26 | C29 | C30 | H302 | 54.7° | 60.0° |
| C26 | C29 | C30 | H303 | 54.7° | 59.9° |
| C26 | C29 | C31 | H311 | 179.9° | 64.4° |
| C26 | C29 | C31 | H312 | 54.8° | 55.6° |
| C26 | C29 | C31 | H313 | 54.7° | 175.6° |
| H26 | C26 | C27 | O28 | 139.3° | 128.8° |
| H26 | C26 | C29 | C30 | 73.4° | 53.8° |
| H26 | C26 | C29 | C31 | 50.1° | 173.8° |
| H26 | C26 | C29 | H29 | 169.8° | 66.3° |
| C30 | C29 | C31 | H29 | 116.7° | 120.0° |
| C29 | C30 | H301 | H302 | 125.3° | 120.0° |
| C29 | C30 | H301 | H303 | 125.3° | 120.0° |
| C29 | C30 | H302 | H303 | 117.4° | 120.0° |
| C30 | C29 | C31 | H311 | 57.4° | 55.6° |
| C30 | C29 | C31 | H312 | 67.8° | 175.6° |
| C30 | C29 | C31 | H313 | 177.3° | 64.4° |
| C31 | C29 | C30 | H301 | 60.1° | 60.0° |
| C31 | C29 | C30 | H302 | 174.6° | 180.0° |
| C31 | C29 | C30 | H303 | 65.2° | 60.0° |
| C29 | C31 | H311 | H312 | 125.2° | 120.0° |
| C29 | C31 | H311 | H313 | 125.3° | 119.9° |
| C29 | C31 | H312 | H313 | 119.2° | 120.0° |
| H29 | C29 | C30 | H301 | 59.5° | 60.0° |
| H29 | C29 | C30 | H302 | 65.9° | 60.0° |
| H29 | C29 | C30 | H303 | 175.3° | 180.0° |
| H29 | C29 | C31 | H311 | 59.3° | 175.7° |
| H29 | C29 | C31 | H312 | 175.5° | 64.4° |
| H29 | C29 | C31 | H313 | 66.0° | 55.7° |
| H301 | C30 | H302 | H303 | 117.4° | 120.1° |
| H311 | C31 | H312 | H313 | 119.2° | 120.1° |
| O33 | C32 | C34 | C35 | 75.3° | 0.0° |
| O33 | C32 | C34 | C36 | 46.4° | 120.0° |
| O33 | C32 | C34 | H34 | 163.2° | 120.1° |
| C32 | C34 | C35 | C36 | 122.4° | 119.9° |
| C32 | C34 | C35 | H34 | 120.6° | 120.0° |
| C32 | C34 | C36 | H34 | 120.6° | 120.0° |
| C32 | C34 | C35 | H351 | 28.6° | 124.5° |
| C32 | C34 | C35 | H352 | 80.8° | 4.5° |
| C32 | C34 | C36 | H361 | 150.2° | 55.9° |
| C32 | C34 | C36 | H362 | 40.8° | 64.0° |
| C35 | C34 | C36 | H34 | 121.4° | 120.1° |
| C34 | C35 | H351 | H352 | 118.0° | 120.1° |
| C35 | C34 | C36 | H361 | 32.2° | 175.9° |
| C35 | C34 | C36 | H362 | 77.2° | 56.0° |
| C36 | C34 | C35 | H351 | 151.1° | 4.5° |
| C36 | C34 | C35 | H352 | 41.7° | 115.5° |
| C34 | C36 | H361 | H362 | 117.7° | 120.0° |
| H34 | C34 | C35 | H351 | 92.0° | 115.5° |
| H34 | C34 | C35 | H352 | 158.6° | 124.5° |
| H34 | C34 | C36 | H361 | 89.2° | 64.0° |
| H34 | C34 | C36 | H362 | 161.3° | 176.0° |
| C38 | C37 | H371 | H372 | 125.3° | 120.1° |
| C38 | C37 | H371 | H373 | 125.3° | 120.0° |
| C38 | C37 | H372 | H373 | 117.4° | 120.0° |
| C37 | C38 | C39 | C40 | 122.6° | 120.0° |
| C37 | C38 | C39 | H391 | 61.6° | 59.9° |
| C37 | C38 | C39 | H392 | 173.1° | 180.0° |
| C37 | C38 | C39 | H393 | 63.7° | 60.0° |
| C37 | C38 | C40 | H401 | 55.4° | 60.0° |
| C37 | C38 | C40 | H402 | 69.8° | 60.0° |
| C37 | C38 | C40 | H403 | 179.2° | 180.0° |
| H371 | C37 | H372 | H373 | 117.4° | 119.9° |
| H371 | C37 | C38 | C39 | 65.6° | 60.0° |
| H371 | C37 | C38 | C40 | 56.1° | 60.0° |
| H372 | C37 | C38 | C39 | 59.7° | 180.0° |
| H372 | C37 | C38 | C40 | 178.6° | 60.0° |
| H373 | C37 | C38 | C39 | 169.1° | 60.0° |
| H373 | C37 | C38 | C40 | 69.2° | 180.0° |
| C38 | C39 | H391 | H392 | 125.3° | 120.0° |
| C38 | C39 | H391 | H393 | 125.2° | 119.9° |
| C38 | C39 | H392 | H393 | 119.7° | 120.0° |
| C39 | C38 | C40 | H401 | 64.0° | 180.0° |
| C39 | C38 | C40 | H402 | 170.8° | 60.0° |
| C39 | C38 | C40 | H403 | 61.3° | 60.0° |
| C40 | C38 | C39 | H391 | 61.0° | 180.0° |
| C40 | C38 | C39 | H392 | 64.3° | 60.0° |
| C40 | C38 | C39 | H393 | 173.7° | 60.0° |
| C38 | C40 | H401 | H402 | 125.2° | 120.0° |
| C38 | C40 | H401 | H403 | 125.3° | 120.0° |
| C38 | C40 | H402 | H403 | 117.9° | 120.0° |
| H391 | C39 | H392 | H393 | 119.8° | 120.0° |
| H401 | C40 | H402 | H403 | 118.0° | 120.0° |
