S2A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | CW1 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | CW9 | sing | 1.53Å | 1.59Å | |
| C10 | CW5 | doub | 1.41Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.56Å | 1.57Å | |
| C11 | C23 | sing | 1.50Å | 1.55Å | |
| C11 | CW9 | sing | 1.57Å | 1.59Å | |
| C11 | H11 | sing | 1.10Å | 1.10Å | |
| CW9 | C25 | sing | 1.51Å | 1.56Å | |
| CW9 | CW8 | sing | 1.54Å | 1.57Å | |
| C22 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.09Å | 1.08Å | |
| C25 | C24 | doub | 1.34Å | 1.36Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.54Å | 1.55Å | |
| C12 | C24 | sing | 1.49Å | 1.49Å | |
| C12 | H12 | sing | 1.10Å | 1.10Å | |
| C23 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| CW5 | CW4 | sing | 1.40Å | 1.40Å | Aromatic |
| CW5 | CW6 | sing | 1.46Å | 1.53Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| CW8 | OW1 | doub | 1.23Å | 1.23Å | |
| CW8 | CW7 | sing | 1.48Å | 1.51Å | |
| C14 | C13 | sing | 1.50Å | 1.51Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| CW1 | CW2 | doub | 1.40Å | 1.39Å | Aromatic |
| CW1 | HW1 | sing | 1.09Å | 1.08Å | |
| CW2 | OW2 | sing | 1.36Å | 1.39Å | |
| CW2 | CW3 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.41Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C21 | sing | 1.42Å | 1.42Å | Aromatic |
| CW3 | CW4 | doub | 1.39Å | 1.40Å | Aromatic |
| CW3 | HW3 | sing | 1.09Å | 1.08Å | |
| CW4 | HW4 | sing | 1.09Å | 1.08Å | |
| C21 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| CW7 | CW6 | doub | 1.33Å | 1.36Å | |
| CW7 | HW7 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.08Å | |
| C20 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C20 | H20 | sing | 1.09Å | 1.08Å | |
| C13 | OW3 | sing | 1.42Å | 1.43Å | |
| C13 | H13 | sing | 1.10Å | 1.10Å | |
| CW6 | HW6 | sing | 1.09Å | 1.08Å | |
| C18 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.09Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.08Å | |
| C26 | OW7 | sing | 1.43Å | 1.48Å | |
| C26 | C27 | sing | 1.54Å | 1.54Å | |
| C26 | OW3 | sing | 1.43Å | 1.46Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| OW7 | C30 | sing | 1.44Å | 1.46Å | |
| C30 | C31 | sing | 1.52Å | 1.54Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C30 | H30 | sing | 1.10Å | 1.10Å | |
| C29 | OW5 | sing | 1.43Å | 1.40Å | |
| C29 | C28 | sing | 1.53Å | 1.50Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| OW5 | HOW5 | sing | 0.97Å | 0.95Å | |
| C28 | OW4 | sing | 1.43Å | 1.42Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C28 | H28 | sing | 1.10Å | 1.10Å | |
| OW4 | HOW4 | sing | 0.97Å | 0.95Å | |
| C27 | NW1 | sing | 1.45Å | 1.45Å | |
| C27 | H27 | sing | 1.10Å | 1.10Å | |
| NW1 | CN | sing | 1.45Å | 1.48Å | |
| NW1 | HNW1 | sing | 1.02Å | 1.00Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| CN | HN1 | sing | 1.09Å | 1.10Å | |
| CN | HN2 | sing | 1.09Å | 1.10Å | |
| CN | HN3 | sing | 1.09Å | 1.10Å | |
| OW2 | CM | sing | 1.43Å | 1.45Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| CM | HM3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CW1 | C10 | CW9 | 119.2° | 121.5° |
| CW1 | C10 | CW5 | 119.7° | 118.2° |
| C10 | CW1 | CW2 | 120.9° | 121.2° |
| C10 | CW1 | HW1 | 119.5° | 120.5° |
| CW9 | C10 | CW5 | 121.0° | 120.3° |
| C10 | CW9 | C11 | 116.1° | 115.7° |
| C10 | CW9 | C25 | 110.8° | 112.1° |
| C10 | CW9 | CW8 | 113.2° | 113.0° |
| C10 | CW5 | CW4 | 119.5° | 120.3° |
| C10 | CW5 | CW6 | 121.3° | 120.8° |
| C12 | C11 | C23 | 101.6° | 102.4° |
| C12 | C11 | CW9 | 106.7° | 106.9° |
| C12 | C11 | H11 | 121.1° | 108.1° |
| C11 | C12 | C13 | 109.1° | 108.2° |
| C11 | C12 | C24 | 105.1° | 103.7° |
| C11 | C12 | H12 | 114.8° | 110.3° |
| C23 | C11 | CW9 | 121.4° | 119.4° |
| C23 | C11 | H11 | 106.3° | 107.9° |
| C11 | C23 | C22 | 128.8° | 127.2° |
| C11 | C23 | C14 | 111.3° | 112.0° |
| CW9 | C11 | H11 | 101.2° | 111.4° |
| C11 | CW9 | C25 | 101.5° | 102.4° |
| C11 | CW9 | CW8 | 105.9° | 107.0° |
| C25 | CW9 | CW8 | 108.4° | 105.7° |
| CW9 | C25 | C24 | 113.0° | 113.2° |
| CW9 | C25 | H25 | 123.5° | 123.5° |
| CW9 | CW8 | OW1 | 119.3° | 122.9° |
| CW9 | CW8 | CW7 | 120.4° | 118.8° |
| C23 | C22 | C21 | 119.2° | 119.4° |
| C23 | C22 | H22 | 120.4° | 119.8° |
| C22 | C23 | C14 | 119.9° | 120.9° |
| C21 | C22 | H22 | 120.4° | 120.9° |
| C22 | C21 | C16 | 119.9° | 119.8° |
| C22 | C21 | C20 | 120.5° | 120.9° |
| C24 | C25 | H25 | 123.5° | 123.2° |
| C25 | C24 | C12 | 112.5° | 112.7° |
| C25 | C24 | H24 | 123.8° | 123.9° |
| C13 | C12 | C24 | 115.4° | 113.4° |
| C13 | C12 | H12 | 104.3° | 111.5° |
| C12 | C13 | C14 | 103.3° | 102.9° |
| C12 | C13 | OW3 | 111.5° | 110.4° |
| C12 | C13 | H13 | 112.2° | 113.2° |
| C24 | C12 | H12 | 108.4° | 109.6° |
| C12 | C24 | H24 | 123.7° | 123.4° |
| C23 | C14 | C13 | 112.6° | 111.8° |
| C23 | C14 | C15 | 121.2° | 120.8° |
| CW4 | CW5 | CW6 | 119.2° | 119.0° |
| CW5 | CW4 | CW3 | 120.3° | 120.5° |
| CW5 | CW4 | HW4 | 119.8° | 120.7° |
| CW5 | CW6 | CW7 | 121.7° | 122.5° |
| CW5 | CW6 | HW6 | 119.2° | 118.1° |
| OW1 | CW8 | CW7 | 120.2° | 118.1° |
| CW8 | CW7 | CW6 | 121.3° | 120.5° |
| CW8 | CW7 | HW7 | 119.3° | 118.1° |
| C13 | C14 | C15 | 126.2° | 127.4° |
| C14 | C13 | OW3 | 109.6° | 110.7° |
| C14 | C13 | H13 | 114.0° | 110.4° |
| C14 | C15 | C16 | 119.9° | 119.4° |
| C14 | C15 | H15 | 120.0° | 119.8° |
| CW2 | CW1 | HW1 | 119.5° | 118.3° |
| CW1 | CW2 | OW2 | 117.7° | 120.0° |
| CW1 | CW2 | CW3 | 119.2° | 120.0° |
| OW2 | CW2 | CW3 | 123.2° | 120.1° |
| CW2 | OW2 | CM | 122.7° | 117.0° |
| CW2 | CW3 | CW4 | 120.4° | 119.8° |
| CW2 | CW3 | HW3 | 119.8° | 120.5° |
| C15 | C16 | C17 | 119.9° | 121.0° |
| C15 | C16 | C21 | 119.9° | 119.8° |
| C16 | C15 | H15 | 120.0° | 120.8° |
| C17 | C16 | C21 | 120.2° | 119.2° |
| C16 | C17 | C18 | 120.0° | 120.7° |
| C16 | C17 | H17 | 120.0° | 120.6° |
| C16 | C21 | C20 | 119.6° | 119.3° |
| CW4 | CW3 | HW3 | 119.8° | 119.7° |
| CW3 | CW4 | HW4 | 119.9° | 118.7° |
| C21 | C20 | C19 | 119.7° | 120.7° |
| C21 | C20 | H20 | 120.2° | 120.6° |
| CW6 | CW7 | HW7 | 119.3° | 121.4° |
| CW7 | CW6 | HW6 | 119.2° | 119.4° |
| C19 | C20 | H20 | 120.1° | 118.7° |
| C20 | C19 | C18 | 120.3° | 120.1° |
| C20 | C19 | H19 | 119.8° | 119.9° |
| OW3 | C13 | H13 | 106.2° | 109.1° |
| C13 | OW3 | C26 | 128.5° | 111.7° |
| C17 | C18 | C19 | 120.2° | 120.1° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C18 | C17 | H17 | 120.0° | 118.7° |
| C19 | C18 | H18 | 119.9° | 119.9° |
| C18 | C19 | H19 | 119.9° | 120.0° |
| OW7 | C26 | C27 | 108.6° | 110.6° |
| OW7 | C26 | OW3 | 115.2° | 111.7° |
| OW7 | C26 | H26 | 105.1° | 107.1° |
| C26 | OW7 | C30 | 117.3° | 113.7° |
| C27 | C26 | OW3 | 106.2° | 110.3° |
| C27 | C26 | H26 | 114.3° | 110.0° |
| C26 | C27 | C28 | 111.2° | 110.4° |
| C26 | C27 | NW1 | 109.5° | 111.2° |
| C26 | C27 | H27 | 108.3° | 108.5° |
| OW3 | C26 | H26 | 107.6° | 107.1° |
| OW7 | C30 | C31 | 110.4° | 107.2° |
| OW7 | C30 | C29 | 108.3° | 110.6° |
| OW7 | C30 | H30 | 110.4° | 108.7° |
| C31 | C30 | C29 | 111.6° | 112.9° |
| C31 | C30 | H30 | 107.0° | 107.5° |
| C30 | C31 | H311 | 109.5° | 110.6° |
| C30 | C31 | H312 | 109.5° | 110.6° |
| C30 | C31 | H313 | 109.4° | 110.5° |
| C29 | C30 | H30 | 109.1° | 109.8° |
| C30 | C29 | OW5 | 110.3° | 110.0° |
| C30 | C29 | C28 | 110.9° | 110.1° |
| C30 | C29 | H29 | 107.3° | 111.1° |
| OW5 | C29 | C28 | 107.4° | 108.5° |
| OW5 | C29 | H29 | 110.8° | 106.7° |
| C29 | OW5 | HOW5 | 109.5° | 106.4° |
| C28 | C29 | H29 | 110.2° | 110.3° |
| C29 | C28 | OW4 | 108.9° | 109.7° |
| C29 | C28 | C27 | 111.3° | 110.4° |
| C29 | C28 | H28 | 109.0° | 109.3° |
| OW4 | C28 | C27 | 110.6° | 109.6° |
| OW4 | C28 | H28 | 109.8° | 107.4° |
| C28 | OW4 | HOW4 | 109.5° | 106.6° |
| C27 | C28 | H28 | 107.3° | 110.5° |
| C28 | C27 | NW1 | 109.7° | 111.3° |
| C28 | C27 | H27 | 108.2° | 108.1° |
| NW1 | C27 | H27 | 109.9° | 107.2° |
| C27 | NW1 | CN | 127.6° | 110.6° |
| C27 | NW1 | HNW1 | 103.8° | 108.8° |
| CN | NW1 | HNW1 | 103.8° | 109.6° |
| NW1 | CN | HN1 | 109.5° | 110.1° |
| NW1 | CN | HN2 | 109.5° | 110.2° |
| NW1 | CN | HN3 | 109.5° | 110.2° |
| H311 | C31 | H312 | 109.5° | 108.4° |
| H311 | C31 | H313 | 109.5° | 108.4° |
| H312 | C31 | H313 | 109.5° | 108.3° |
| HN1 | CN | HN2 | 109.4° | 108.8° |
| HN1 | CN | HN3 | 109.5° | 108.8° |
| HN2 | CN | HN3 | 109.5° | 108.7° |
| OW2 | CM | HM1 | 109.5° | 109.5° |
| OW2 | CM | HM2 | 109.5° | 109.5° |
| OW2 | CM | HM3 | 109.5° | 109.0° |
| HM1 | CM | HM2 | 109.5° | 110.0° |
| HM1 | CM | HM3 | 109.4° | 109.4° |
| HM2 | CM | HM3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CW1 | C10 | CW9 | CW5 | 178.0° | 177.7° |
| CW1 | C10 | CW9 | C11 | 64.9° | 72.0° |
| CW1 | C10 | CW9 | C25 | 50.2° | 44.9° |
| CW1 | C10 | CW9 | CW8 | 172.3° | 164.2° |
| CW1 | C10 | CW5 | CW4 | 0.1° | 0.9° |
| CW1 | C10 | CW5 | CW6 | 179.4° | 179.0° |
| C10 | CW1 | CW2 | HW1 | 180.0° | 179.3° |
| C10 | CW1 | CW2 | OW2 | 178.4° | 179.6° |
| C10 | CW1 | CW2 | CW3 | 1.0° | 0.0° |
| C10 | CW9 | C11 | C12 | 109.8° | 112.1° |
| C10 | CW9 | C11 | C23 | 5.6° | 3.4° |
| C10 | CW9 | C11 | C25 | 120.3° | 122.2° |
| C10 | CW9 | C11 | CW8 | 126.6° | 126.9° |
| C10 | CW9 | C11 | H11 | 122.7° | 130.1° |
| C10 | CW9 | C25 | CW8 | 124.8° | 123.5° |
| C10 | CW9 | C25 | C24 | 116.7° | 118.0° |
| C10 | CW9 | C25 | H25 | 63.4° | 61.3° |
| CW9 | C10 | CW5 | CW4 | 177.9° | 176.9° |
| CW9 | C10 | CW5 | CW6 | 2.6° | 3.2° |
| C10 | CW9 | CW8 | OW1 | 170.9° | 160.5° |
| C10 | CW9 | CW8 | CW7 | 11.9° | 23.7° |
| CW9 | C10 | CW1 | CW2 | 177.2° | 177.1° |
| CW9 | C10 | CW1 | HW1 | 2.8° | 2.2° |
| CW5 | C10 | CW9 | C11 | 113.1° | 105.8° |
| CW5 | C10 | CW9 | C25 | 131.8° | 137.3° |
| CW5 | C10 | CW9 | CW8 | 9.8° | 18.1° |
| C10 | CW5 | CW4 | CW6 | 179.5° | 180.0° |
| CW5 | C10 | CW1 | CW2 | 0.8° | 0.6° |
| CW5 | C10 | CW1 | HW1 | 179.2° | 180.0° |
| C10 | CW5 | CW4 | CW3 | 0.4° | 0.6° |
| C10 | CW5 | CW4 | HW4 | 179.6° | 179.7° |
| C10 | CW5 | CW6 | CW7 | 3.4° | 8.0° |
| C10 | CW5 | CW6 | HW6 | 176.6° | 174.1° |
| C12 | C11 | C23 | CW9 | 118.0° | 117.8° |
| C12 | C11 | C23 | H11 | 127.5° | 113.9° |
| C12 | C11 | CW9 | H11 | 127.5° | 117.8° |
| C12 | C11 | CW9 | C25 | 10.5° | 10.2° |
| C12 | C11 | CW9 | CW8 | 123.6° | 121.1° |
| C12 | C11 | C23 | C22 | 172.7° | 170.3° |
| C11 | C12 | C24 | C25 | 6.1° | 6.5° |
| C11 | C12 | C13 | C24 | 118.1° | 114.4° |
| C11 | C12 | C13 | H12 | 123.1° | 121.4° |
| C11 | C12 | C24 | H12 | 123.2° | 117.7° |
| C12 | C11 | C23 | C14 | 9.8° | 9.1° |
| C11 | C12 | C24 | H24 | 173.8° | 174.1° |
| C11 | C12 | C13 | C14 | 13.3° | 16.5° |
| C11 | C12 | C13 | OW3 | 131.0° | 134.7° |
| C11 | C12 | C13 | H13 | 109.9° | 102.5° |
| C23 | C11 | CW9 | H11 | 117.1° | 126.8° |
| C23 | C11 | CW9 | C25 | 125.9° | 125.6° |
| C23 | C11 | CW9 | CW8 | 121.0° | 123.5° |
| C11 | C23 | C22 | C14 | 177.4° | 179.4° |
| C11 | C23 | C22 | C21 | 177.6° | 179.3° |
| C11 | C23 | C22 | H22 | 2.4° | 0.4° |
| C23 | C11 | C12 | C13 | 14.1° | 15.8° |
| C23 | C11 | C12 | C24 | 138.5° | 136.5° |
| C23 | C11 | C12 | H12 | 102.6° | 106.3° |
| C11 | C23 | C14 | C13 | 1.8° | 1.3° |
| C11 | C23 | C14 | C15 | 177.0° | 179.0° |
| C11 | CW9 | C25 | CW8 | 111.2° | 111.9° |
| CW9 | C11 | C23 | C22 | 69.3° | 71.9° |
| C11 | CW9 | C25 | C24 | 7.3° | 6.6° |
| C11 | CW9 | C25 | H25 | 172.7° | 174.0° |
| CW9 | C11 | C12 | C13 | 114.0° | 110.5° |
| CW9 | C11 | C12 | C24 | 10.4° | 10.2° |
| CW9 | C11 | C12 | H12 | 129.4° | 127.4° |
| CW9 | C11 | C23 | C14 | 108.2° | 108.6° |
| C11 | CW9 | CW8 | OW1 | 60.7° | 71.1° |
| C11 | CW9 | CW8 | CW7 | 116.5° | 104.8° |
| H11 | C11 | CW9 | C25 | 117.0° | 107.7° |
| H11 | C11 | CW9 | CW8 | 3.9° | 3.2° |
| H11 | C11 | C23 | C22 | 45.2° | 56.4° |
| H11 | C11 | C12 | C13 | 131.4° | 129.6° |
| H11 | C11 | C12 | C24 | 104.3° | 109.8° |
| H11 | C11 | C12 | H12 | 14.7° | 7.4° |
| H11 | C11 | C23 | C14 | 137.3° | 123.0° |
| CW9 | C25 | C24 | H25 | 180.0° | 179.3° |
| CW9 | C25 | C24 | C12 | 0.9° | 0.1° |
| CW9 | C25 | C24 | H24 | 179.1° | 179.3° |
| C25 | CW9 | CW8 | OW1 | 47.5° | 37.5° |
| C25 | CW9 | CW8 | CW7 | 135.2° | 146.6° |
| CW8 | CW9 | C25 | C24 | 118.5° | 118.6° |
| CW8 | CW9 | C25 | H25 | 61.4° | 62.1° |
| CW9 | CW8 | OW1 | CW7 | 177.2° | 175.8° |
| CW9 | CW8 | CW7 | CW6 | 7.0° | 14.8° |
| CW9 | CW8 | CW7 | HW7 | 173.0° | 166.0° |
| C23 | C22 | C21 | H22 | 180.0° | 179.6° |
| C22 | C23 | C14 | C13 | 179.6° | 179.3° |
| C22 | C23 | C14 | C15 | 0.8° | 1.6° |
| C23 | C22 | C21 | C16 | 0.6° | 0.5° |
| C23 | C22 | C21 | C20 | 179.7° | 179.4° |
| C21 | C22 | C23 | C14 | 0.2° | 1.3° |
| C22 | C21 | C16 | C15 | 0.0° | 0.1° |
| C22 | C21 | C16 | C17 | 179.9° | 179.8° |
| C22 | C21 | C16 | C20 | 179.7° | 179.9° |
| C22 | C21 | C20 | C19 | 180.0° | 179.8° |
| C22 | C21 | C20 | H20 | 0.1° | 0.1° |
| H22 | C22 | C23 | C14 | 179.7° | 179.1° |
| H22 | C22 | C21 | C16 | 179.4° | 179.9° |
| H22 | C22 | C21 | C20 | 0.3° | 0.2° |
| C25 | C24 | C12 | C13 | 114.2° | 110.6° |
| C25 | C24 | C12 | H24 | 180.0° | 179.4° |
| C25 | C24 | C12 | H12 | 129.3° | 124.2° |
| H25 | C25 | C24 | C12 | 179.1° | 179.5° |
| H25 | C25 | C24 | H24 | 0.9° | 0.0° |
| C13 | C12 | C24 | H12 | 116.5° | 125.2° |
| C12 | C13 | C14 | C23 | 7.2° | 11.2° |
| C13 | C12 | C24 | H24 | 65.9° | 68.9° |
| C12 | C13 | C14 | OW3 | 119.0° | 118.0° |
| C12 | C13 | C14 | H13 | 122.1° | 121.1° |
| C12 | C13 | C14 | C15 | 174.1° | 171.3° |
| C12 | C13 | OW3 | H13 | 122.5° | 125.1° |
| C12 | C13 | OW3 | C26 | 116.7° | 95.1° |
| C24 | C12 | C13 | C14 | 131.4° | 131.0° |
| C24 | C12 | C13 | OW3 | 110.9° | 110.9° |
| C24 | C12 | C13 | H13 | 8.2° | 11.9° |
| H12 | C12 | C24 | H24 | 50.7° | 56.4° |
| H12 | C12 | C13 | C14 | 109.8° | 104.8° |
| H12 | C12 | C13 | OW3 | 7.9° | 13.4° |
| H12 | C12 | C13 | H13 | 127.0° | 136.1° |
| C23 | C14 | C13 | C15 | 178.7° | 177.5° |
| C23 | C14 | C15 | C16 | 1.4° | 0.9° |
| C23 | C14 | C15 | H15 | 178.6° | 178.8° |
| C23 | C14 | C13 | OW3 | 126.2° | 129.2° |
| C23 | C14 | C13 | H13 | 114.8° | 109.9° |
| CW5 | CW4 | CW3 | CW2 | 0.2° | 0.0° |
| CW5 | CW4 | CW3 | HW4 | 180.0° | 179.6° |
| CW5 | CW4 | CW3 | HW3 | 179.8° | 180.0° |
| CW4 | CW5 | CW6 | CW7 | 176.1° | 172.0° |
| CW4 | CW5 | CW6 | HW6 | 3.9° | 5.9° |
| CW5 | CW6 | CW7 | CW8 | 1.2° | 1.7° |
| CW6 | CW5 | CW4 | CW3 | 179.9° | 179.3° |
| CW6 | CW5 | CW4 | HW4 | 0.1° | 0.3° |
| CW5 | CW6 | CW7 | HW6 | 180.0° | 177.9° |
| CW5 | CW6 | CW7 | HW7 | 178.8° | 177.4° |
| OW1 | CW8 | CW7 | CW6 | 175.8° | 169.1° |
| OW1 | CW8 | CW7 | HW7 | 4.2° | 10.1° |
| CW8 | CW7 | CW6 | HW7 | 180.0° | 179.2° |
| CW8 | CW7 | CW6 | HW6 | 178.8° | 179.6° |
| C13 | C14 | C15 | C16 | 180.0° | 178.2° |
| C13 | C14 | C15 | H15 | 0.1° | 1.5° |
| C14 | C13 | OW3 | H13 | 123.6° | 121.7° |
| C14 | C13 | OW3 | C26 | 129.5° | 151.6° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 178.9° | 180.0° |
| C14 | C15 | C16 | C21 | 1.1° | 0.1° |
| C15 | C14 | C13 | OW3 | 55.1° | 53.3° |
| C15 | C14 | C13 | H13 | 63.9° | 67.6° |
| CW1 | CW2 | OW2 | CW3 | 179.4° | 179.7° |
| CW1 | CW2 | CW3 | CW4 | 0.5° | 0.3° |
| CW1 | CW2 | CW3 | HW3 | 179.6° | 179.7° |
| CW1 | CW2 | OW2 | CM | 45.1° | 179.7° |
| HW1 | CW1 | CW2 | OW2 | 1.6° | 0.3° |
| HW1 | CW1 | CW2 | CW3 | 179.0° | 179.4° |
| OW2 | CW2 | CW3 | CW4 | 178.9° | 180.0° |
| OW2 | CW2 | CW3 | HW3 | 1.1° | 0.1° |
| CW2 | OW2 | CM | HM1 | 49.8° | 146.0° |
| CW2 | OW2 | CM | HM2 | 70.2° | 93.3° |
| CW2 | OW2 | CM | HM3 | 169.8° | 26.3° |
| CW2 | CW3 | CW4 | HW3 | 180.0° | 180.0° |
| CW2 | CW3 | CW4 | HW4 | 179.8° | 179.7° |
| CW3 | CW2 | OW2 | CM | 134.3° | 0.0° |
| C15 | C16 | C17 | C21 | 179.9° | 179.9° |
| C15 | C16 | C21 | C20 | 179.7° | 180.0° |
| C15 | C16 | C17 | C18 | 180.0° | 179.9° |
| C15 | C16 | C17 | H17 | 0.0° | 0.0° |
| C17 | C16 | C21 | C20 | 0.4° | 0.1° |
| C17 | C16 | C15 | H15 | 1.1° | 0.3° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.3° | 0.0° |
| C16 | C17 | C18 | H18 | 179.7° | 180.0° |
| C21 | C16 | C15 | H15 | 178.9° | 179.7° |
| C16 | C21 | C20 | C19 | 0.3° | 0.1° |
| C16 | C21 | C20 | H20 | 179.6° | 179.9° |
| C21 | C16 | C17 | C18 | 0.1° | 0.0° |
| C21 | C16 | C17 | H17 | 179.9° | 179.9° |
| HW3 | CW3 | CW4 | HW4 | 0.2° | 0.3° |
| C21 | C20 | C19 | H20 | 180.0° | 179.8° |
| C21 | C20 | C19 | C18 | 0.0° | 0.1° |
| C21 | C20 | C19 | H19 | 180.0° | 180.0° |
| HW7 | CW7 | CW6 | HW6 | 1.2° | 0.5° |
| C20 | C19 | C18 | C17 | 0.3° | 0.0° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C20 | C19 | C18 | H18 | 179.7° | 180.0° |
| H20 | C20 | C19 | C18 | 180.0° | 179.9° |
| H20 | C20 | C19 | H19 | 0.0° | 0.1° |
| C13 | OW3 | C26 | OW7 | 19.9° | 56.9° |
| C13 | OW3 | C26 | C27 | 140.2° | 179.7° |
| C13 | OW3 | C26 | H26 | 97.0° | 60.0° |
| H13 | C13 | OW3 | C26 | 5.9° | 30.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | H19 | 179.7° | 180.0° |
| C19 | C18 | C17 | H17 | 179.7° | 180.0° |
| H18 | C18 | C17 | H17 | 0.3° | 0.0° |
| H18 | C18 | C19 | H19 | 0.3° | 0.0° |
| OW7 | C26 | C27 | OW3 | 124.4° | 124.0° |
| OW7 | C26 | C27 | H26 | 117.1° | 118.0° |
| OW7 | C26 | OW3 | H26 | 116.9° | 116.9° |
| C26 | OW7 | C30 | C31 | 179.9° | 176.3° |
| C26 | OW7 | C30 | C29 | 57.5° | 60.2° |
| C26 | OW7 | C30 | H30 | 61.9° | 60.4° |
| OW7 | C26 | C27 | C28 | 51.6° | 55.0° |
| OW7 | C26 | C27 | NW1 | 173.1° | 179.1° |
| OW7 | C26 | C27 | H27 | 67.1° | 63.2° |
| C27 | C26 | OW3 | H26 | 122.8° | 119.7° |
| C27 | C26 | OW7 | C30 | 55.9° | 59.8° |
| C26 | C27 | C28 | C29 | 54.8° | 52.7° |
| C26 | C27 | C28 | OW4 | 176.0° | 173.6° |
| C26 | C27 | C28 | NW1 | 121.4° | 124.0° |
| C26 | C27 | C28 | H27 | 118.8° | 118.6° |
| C26 | C27 | C28 | H28 | 64.3° | 68.3° |
| C26 | C27 | NW1 | H27 | 118.8° | 118.4° |
| C26 | C27 | NW1 | CN | 135.9° | 56.0° |
| C26 | C27 | NW1 | HNW1 | 104.1° | 176.4° |
| OW3 | C26 | OW7 | C30 | 63.0° | 63.5° |
| OW3 | C26 | C27 | C28 | 72.8° | 69.0° |
| OW3 | C26 | C27 | NW1 | 48.6° | 55.1° |
| OW3 | C26 | C27 | H27 | 168.4° | 172.7° |
| H26 | C26 | OW7 | C30 | 178.7° | 179.6° |
| H26 | C26 | C27 | C28 | 168.7° | 173.1° |
| H26 | C26 | C27 | NW1 | 69.9° | 62.8° |
| H26 | C26 | C27 | H27 | 49.9° | 54.8° |
| OW7 | C30 | C31 | C29 | 120.5° | 122.0° |
| OW7 | C30 | C31 | H30 | 120.2° | 116.7° |
| OW7 | C30 | C29 | H30 | 120.2° | 119.9° |
| OW7 | C30 | C29 | OW5 | 63.5° | 63.9° |
| OW7 | C30 | C29 | C28 | 55.4° | 55.6° |
| OW7 | C30 | C29 | H29 | 175.8° | 178.2° |
| OW7 | C30 | C31 | H311 | 84.0° | 23.8° |
| OW7 | C30 | C31 | H312 | 36.0° | 143.8° |
| OW7 | C30 | C31 | H313 | 156.0° | 96.2° |
| C31 | C30 | C29 | H30 | 118.1° | 120.0° |
| C31 | C30 | C29 | OW5 | 58.3° | 56.2° |
| C31 | C30 | C29 | C28 | 177.1° | 175.8° |
| C31 | C30 | C29 | H29 | 62.5° | 61.7° |
| C30 | C31 | H311 | H312 | 120.0° | 121.4° |
| C30 | C31 | H311 | H313 | 120.0° | 121.2° |
| C30 | C31 | H312 | H313 | 120.0° | 121.2° |
| C30 | C29 | OW5 | C28 | 121.0° | 120.5° |
| C30 | C29 | OW5 | H29 | 118.6° | 120.6° |
| C30 | C29 | C28 | H29 | 118.6° | 123.0° |
| C30 | C29 | OW5 | HOW5 | 166.1° | 151.3° |
| C30 | C29 | C28 | OW4 | 178.5° | 173.9° |
| C30 | C29 | C28 | C27 | 56.4° | 53.0° |
| C30 | C29 | C28 | H28 | 61.7° | 68.7° |
| C29 | C30 | C31 | H311 | 36.5° | 145.8° |
| C29 | C30 | C31 | H312 | 156.5° | 94.1° |
| C29 | C30 | C31 | H313 | 83.5° | 25.8° |
| H30 | C30 | C29 | OW5 | 176.3° | 176.2° |
| H30 | C30 | C29 | C28 | 64.8° | 64.3° |
| H30 | C30 | C29 | H29 | 55.6° | 58.3° |
| H30 | C30 | C31 | H311 | 155.8° | 92.9° |
| H30 | C30 | C31 | H312 | 84.2° | 27.2° |
| H30 | C30 | C31 | H313 | 35.8° | 147.1° |
| OW5 | C29 | C28 | H29 | 120.8° | 116.6° |
| OW5 | C29 | C28 | OW4 | 57.9° | 53.4° |
| OW5 | C29 | C28 | C27 | 64.2° | 67.4° |
| OW5 | C29 | C28 | H28 | 177.7° | 170.9° |
| C28 | C29 | OW5 | HOW5 | 45.1° | 30.8° |
| C29 | C28 | OW4 | C27 | 122.6° | 121.4° |
| C29 | C28 | OW4 | H28 | 119.2° | 118.6° |
| C29 | C28 | C27 | H28 | 119.1° | 121.0° |
| C29 | C28 | OW4 | HOW4 | 128.2° | 23.5° |
| C29 | C28 | C27 | NW1 | 176.2° | 176.7° |
| C29 | C28 | C27 | H27 | 64.0° | 65.9° |
| H29 | C29 | OW5 | HOW5 | 75.3° | 88.1° |
| H29 | C29 | C28 | OW4 | 62.8° | 63.2° |
| H29 | C29 | C28 | C27 | 175.0° | 175.9° |
| H29 | C29 | C28 | H28 | 56.9° | 54.3° |
| OW4 | C28 | C27 | H28 | 119.7° | 118.1° |
| OW4 | C28 | C27 | NW1 | 62.7° | 62.4° |
| OW4 | C28 | C27 | H27 | 57.2° | 55.1° |
| C27 | C28 | OW4 | HOW4 | 109.3° | 144.8° |
| C28 | C27 | NW1 | H27 | 118.8° | 118.0° |
| C28 | C27 | NW1 | CN | 101.7° | 179.5° |
| C28 | C27 | NW1 | HNW1 | 18.3° | 60.0° |
| H28 | C28 | OW4 | HOW4 | 8.9° | 95.2° |
| H28 | C28 | C27 | NW1 | 57.0° | 55.7° |
| H28 | C28 | C27 | H27 | 176.9° | 173.2° |
| C27 | NW1 | CN | HNW1 | 120.0° | 120.0° |
| C27 | NW1 | CN | HN1 | 150.3° | 51.8° |
| C27 | NW1 | CN | HN2 | 89.7° | 171.9° |
| C27 | NW1 | CN | HN3 | 30.3° | 68.1° |
| H27 | C27 | NW1 | CN | 17.1° | 62.5° |
| H27 | C27 | NW1 | HNW1 | 137.1° | 58.0° |
| NW1 | CN | HN1 | HN2 | 120.0° | 120.9° |
| NW1 | CN | HN1 | HN3 | 120.0° | 120.8° |
| NW1 | CN | HN2 | HN3 | 120.0° | 120.8° |
| HNW1 | NW1 | CN | HN1 | 30.3° | 171.8° |
| HNW1 | NW1 | CN | HN2 | 150.3° | 68.1° |
| HNW1 | NW1 | CN | HN3 | 89.7° | 51.8° |
| H311 | C31 | H312 | H313 | 120.0° | 117.4° |
| HN1 | CN | HN2 | HN3 | 120.0° | 118.3° |
| OW2 | CM | HM1 | HM2 | 120.0° | 120.4° |
| OW2 | CM | HM1 | HM3 | 120.0° | 119.4° |
| OW2 | CM | HM2 | HM3 | 120.0° | 119.4° |
| HM1 | CM | HM2 | HM3 | 120.0° | 120.2° |
