598
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | C2 | sing | 1.78Å | 1.71Å | Aromatic |
| S1 | C5 | sing | 1.79Å | 1.73Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.37Å | Aromatic |
| C2 | C6 | sing | 1.41Å | 1.56Å | |
| C3 | C4 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | O9 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | S18 | sing | 1.79Å | 1.73Å | Aromatic |
| C5 | C20 | sing | 1.46Å | 1.42Å | Aromatic |
| C6 | O7 | sing | 1.35Å | 1.27Å | |
| C6 | O8 | doub | 1.22Å | 1.26Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O9 | C10 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | O14 | sing | 1.21Å | 1.26Å | |
| C11 | O15 | doub | 1.34Å | 1.25Å | |
| O14 | H14 | sing | 9.31Å | 0.95Å | |
| S18 | C19 | sing | 1.77Å | 1.73Å | Aromatic |
| C19 | C20 | doub | 1.41Å | 1.39Å | Aromatic |
| C19 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C24 | sing | 1.42Å | 1.42Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | N28 | sing | 1.40Å | 1.39Å | |
| C23 | C24 | doub | 1.36Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| N28 | C29 | sing | 1.47Å | 1.45Å | |
| N28 | H28 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C29 | C34 | sing | 1.53Å | 1.54Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | N32 | sing | 1.47Å | 1.51Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| N32 | C33 | sing | 1.47Å | 1.51Å | |
| N32 | S44 | sing | 1.66Å | 1.73Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| S44 | C45 | sing | 1.81Å | 1.80Å | |
| S44 | O59 | doub | 1.42Å | 1.45Å | |
| S44 | O60 | doub | 1.42Å | 1.45Å | |
| C45 | C46 | sing | 1.51Å | 1.51Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C46 | C49 | doub | 1.38Å | 1.41Å | Aromatic |
| C46 | C53 | sing | 1.38Å | 1.41Å | Aromatic |
| C49 | C50 | sing | 1.38Å | 1.40Å | Aromatic |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C50 | C51 | doub | 1.38Å | 1.40Å | Aromatic |
| C50 | H50 | sing | 1.08Å | 1.08Å | |
| C51 | C52 | sing | 1.38Å | 1.40Å | Aromatic |
| C51 | H51 | sing | 1.08Å | 1.08Å | |
| C52 | C53 | doub | 1.38Å | 1.40Å | Aromatic |
| C52 | H52 | sing | 1.08Å | 1.08Å | |
| C53 | H53 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | S1 | C5 | 89.9° | 98.5° |
| S1 | C2 | C3 | 114.3° | 102.3° |
| S1 | C2 | C6 | 118.1° | 128.8° |
| S1 | C5 | C4 | 112.4° | 102.6° |
| S1 | C5 | C20 | 132.5° | 139.4° |
| C3 | C2 | C6 | 127.6° | 128.8° |
| C2 | C3 | C4 | 110.0° | 118.9° |
| C2 | C3 | O9 | 126.2° | 120.6° |
| C2 | C6 | O7 | 119.1° | 120.0° |
| C2 | C6 | O8 | 113.0° | 120.0° |
| C4 | C3 | O9 | 123.7° | 120.5° |
| C3 | C4 | C5 | 113.3° | 117.7° |
| C3 | C4 | S18 | 134.9° | 139.3° |
| C3 | O9 | C10 | 115.0° | 106.8° |
| C5 | C4 | S18 | 111.8° | 103.1° |
| C4 | C5 | C20 | 115.0° | 117.9° |
| C4 | S18 | C19 | 90.1° | 99.5° |
| C5 | C20 | C19 | 109.0° | 115.3° |
| C5 | C20 | C24 | 130.5° | 127.8° |
| O7 | C6 | O8 | 127.9° | 120.0° |
| C6 | O7 | HO7 | 109.5° | 106.8° |
| O9 | C10 | C11 | 106.3° | 109.5° |
| O9 | C10 | H101 | 111.2° | 109.5° |
| O9 | C10 | H102 | 110.5° | 109.5° |
| C11 | C10 | H101 | 111.2° | 109.5° |
| C11 | C10 | H102 | 110.5° | 109.4° |
| C10 | C11 | O14 | 116.5° | 120.0° |
| C10 | C11 | O15 | 115.4° | 120.0° |
| H101 | C10 | H102 | 107.1° | 109.4° |
| O14 | C11 | O15 | 128.2° | 120.0° |
| C11 | O14 | H14 | 109.5° | 58.7° |
| S18 | C19 | C20 | 114.1° | 104.3° |
| S18 | C19 | C21 | 126.7° | 133.6° |
| C20 | C19 | C21 | 119.2° | 122.1° |
| C19 | C20 | C24 | 120.5° | 116.9° |
| C19 | C21 | C22 | 121.3° | 119.5° |
| C19 | C21 | H21 | 119.4° | 120.3° |
| C20 | C24 | C23 | 119.4° | 120.8° |
| C20 | C24 | H24 | 120.3° | 119.6° |
| C22 | C21 | H21 | 119.4° | 120.2° |
| C21 | C22 | C23 | 118.5° | 119.3° |
| C21 | C22 | N28 | 117.6° | 120.3° |
| C23 | C22 | N28 | 123.8° | 120.4° |
| C22 | C23 | C24 | 121.1° | 121.4° |
| C22 | C23 | H23 | 119.4° | 119.3° |
| C22 | N28 | C29 | 124.5° | 120.0° |
| C22 | N28 | H28 | 104.8° | 120.0° |
| C24 | C23 | H23 | 119.5° | 119.3° |
| C23 | C24 | H24 | 120.3° | 119.6° |
| C29 | N28 | H28 | 104.7° | 120.0° |
| N28 | C29 | C30 | 109.2° | 109.4° |
| N28 | C29 | C34 | 110.7° | 109.5° |
| N28 | C29 | H29 | 109.6° | 109.5° |
| C30 | C29 | C34 | 111.7° | 109.6° |
| C30 | C29 | H29 | 108.5° | 109.4° |
| C29 | C30 | C31 | 110.8° | 109.3° |
| C29 | C30 | H301 | 108.7° | 109.5° |
| C29 | C30 | H302 | 109.1° | 109.5° |
| C34 | C29 | H29 | 107.0° | 109.5° |
| C29 | C34 | C33 | 110.0° | 109.3° |
| C29 | C34 | H341 | 109.2° | 109.5° |
| C29 | C34 | H342 | 109.3° | 109.5° |
| C31 | C30 | H301 | 108.7° | 109.5° |
| C31 | C30 | H302 | 109.0° | 109.5° |
| C30 | C31 | N32 | 107.8° | 108.8° |
| C30 | C31 | H311 | 110.4° | 109.6° |
| C30 | C31 | H312 | 110.1° | 109.6° |
| H301 | C30 | H302 | 110.5° | 109.6° |
| N32 | C31 | H311 | 110.4° | 109.6° |
| N32 | C31 | H312 | 110.0° | 109.6° |
| C31 | N32 | C33 | 113.5° | 118.7° |
| C31 | N32 | S44 | 116.8° | 120.6° |
| H311 | C31 | H312 | 108.2° | 109.7° |
| C33 | N32 | S44 | 118.4° | 120.6° |
| N32 | C33 | C34 | 108.1° | 108.8° |
| N32 | C33 | H331 | 110.2° | 109.6° |
| N32 | C33 | H332 | 110.0° | 109.6° |
| N32 | S44 | C45 | 100.7° | 103.2° |
| N32 | S44 | O59 | 108.9° | 102.8° |
| N32 | S44 | O60 | 107.2° | 102.8° |
| C34 | C33 | H331 | 110.3° | 109.6° |
| C34 | C33 | H332 | 109.9° | 109.6° |
| C33 | C34 | H341 | 109.2° | 109.5° |
| C33 | C34 | H342 | 109.3° | 109.5° |
| H331 | C33 | H332 | 108.4° | 109.7° |
| H341 | C34 | H342 | 109.8° | 109.6° |
| C45 | S44 | O59 | 109.2° | 111.6° |
| C45 | S44 | O60 | 109.1° | 111.6° |
| S44 | C45 | C46 | 109.9° | 109.5° |
| S44 | C45 | H451 | 109.2° | 109.5° |
| S44 | C45 | H452 | 109.3° | 109.4° |
| O59 | S44 | O60 | 119.9° | 122.1° |
| C46 | C45 | H451 | 109.2° | 109.5° |
| C46 | C45 | H452 | 109.3° | 109.5° |
| C45 | C46 | C49 | 120.4° | 120.0° |
| C45 | C46 | C53 | 120.9° | 120.0° |
| H451 | C45 | H452 | 109.8° | 109.5° |
| C49 | C46 | C53 | 118.7° | 120.0° |
| C46 | C49 | C50 | 120.9° | 120.0° |
| C46 | C49 | H49 | 119.5° | 120.0° |
| C46 | C53 | C52 | 120.4° | 120.0° |
| C46 | C53 | H53 | 119.8° | 120.0° |
| C50 | C49 | H49 | 119.6° | 120.0° |
| C49 | C50 | C51 | 119.8° | 120.0° |
| C49 | C50 | H50 | 120.1° | 120.0° |
| C51 | C50 | H50 | 120.1° | 120.0° |
| C50 | C51 | C52 | 120.1° | 120.0° |
| C50 | C51 | H51 | 120.0° | 120.0° |
| C52 | C51 | H51 | 119.9° | 120.0° |
| C51 | C52 | C53 | 120.1° | 120.0° |
| C51 | C52 | H52 | 120.0° | 120.0° |
| C53 | C52 | H52 | 119.9° | 120.0° |
| C52 | C53 | H53 | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C2 | C3 | C6 | 178.1° | 179.9° |
| S1 | C2 | C3 | C4 | 1.4° | 0.3° |
| S1 | C2 | C3 | O9 | 179.8° | 179.9° |
| C2 | S1 | C5 | C4 | 0.9° | 0.2° |
| C2 | S1 | C5 | C20 | 179.8° | 180.0° |
| S1 | C2 | C6 | O7 | 170.1° | 0.0° |
| S1 | C2 | C6 | O8 | 10.4° | 179.9° |
| C5 | S1 | C2 | C3 | 1.3° | 0.0° |
| C5 | S1 | C2 | C6 | 179.6° | 180.0° |
| S1 | C5 | C4 | C3 | 0.3° | 0.4° |
| S1 | C5 | C4 | C20 | 179.4° | 179.8° |
| S1 | C5 | C4 | S18 | 178.8° | 180.0° |
| S1 | C5 | C20 | C19 | 178.9° | 179.9° |
| S1 | C5 | C20 | C24 | 0.5° | 0.4° |
| C2 | C3 | C4 | O9 | 178.9° | 179.6° |
| C2 | C3 | C4 | C5 | 0.7° | 0.5° |
| C2 | C3 | C4 | S18 | 179.4° | 179.9° |
| C3 | C2 | C6 | O7 | 11.9° | 179.9° |
| C3 | C2 | C6 | O8 | 167.6° | 0.0° |
| C2 | C3 | O9 | C10 | 96.9° | 90.1° |
| C6 | C2 | C3 | C4 | 179.5° | 179.7° |
| C6 | C2 | C3 | O9 | 1.7° | 0.1° |
| C2 | C6 | O7 | O8 | 179.4° | 180.0° |
| C2 | C6 | O7 | HO7 | 179.4° | 180.0° |
| C3 | C4 | C5 | S18 | 179.1° | 179.5° |
| C3 | C4 | C5 | C20 | 179.7° | 179.7° |
| C4 | C3 | O9 | C10 | 84.4° | 90.3° |
| C3 | C4 | S18 | C19 | 179.3° | 179.4° |
| O9 | C3 | C4 | C5 | 179.5° | 179.8° |
| O9 | C3 | C4 | S18 | 1.7° | 0.5° |
| C3 | O9 | C10 | C11 | 179.2° | 180.0° |
| C3 | O9 | C10 | H101 | 59.6° | 60.0° |
| C3 | O9 | C10 | H102 | 59.2° | 60.0° |
| C5 | C4 | S18 | C19 | 0.5° | 0.0° |
| C4 | C5 | C20 | C19 | 0.5° | 0.3° |
| C4 | C5 | C20 | C24 | 179.8° | 179.8° |
| S18 | C4 | C5 | C20 | 0.7° | 0.2° |
| C4 | S18 | C19 | C20 | 0.3° | 0.1° |
| C4 | S18 | C19 | C21 | 179.9° | 180.0° |
| C5 | C20 | C19 | S18 | 0.0° | 0.2° |
| C5 | C20 | C19 | C24 | 179.5° | 179.6° |
| C5 | C20 | C19 | C21 | 179.6° | 179.9° |
| C5 | C20 | C24 | C23 | 179.8° | 179.8° |
| C5 | C20 | C24 | H24 | 0.2° | 0.4° |
| O8 | C6 | O7 | HO7 | 0.0° | 0.0° |
| O9 | C10 | C11 | H101 | 121.2° | 120.0° |
| O9 | C10 | C11 | H102 | 120.0° | 120.0° |
| O9 | C10 | H101 | H102 | 120.9° | 120.0° |
| O9 | C10 | C11 | O14 | 3.5° | 0.0° |
| O9 | C10 | C11 | O15 | 175.6° | 180.0° |
| C11 | C10 | H101 | H102 | 120.8° | 119.9° |
| C10 | C11 | O14 | O15 | 179.0° | 180.0° |
| C10 | C11 | O14 | H14 | 179.0° | 34.3° |
| H101 | C10 | C11 | O14 | 117.7° | 120.0° |
| H101 | C10 | C11 | O15 | 63.2° | 60.0° |
| H102 | C10 | C11 | O14 | 123.5° | 120.0° |
| H102 | C10 | C11 | O15 | 55.6° | 59.9° |
| O15 | C11 | O14 | H14 | 0.0° | 145.7° |
| S18 | C19 | C20 | C21 | 179.7° | 179.9° |
| S18 | C19 | C20 | C24 | 179.5° | 179.8° |
| S18 | C19 | C21 | C22 | 179.9° | 180.0° |
| S18 | C19 | C21 | H21 | 0.1° | 0.0° |
| C20 | C19 | C21 | C22 | 0.5° | 0.2° |
| C20 | C19 | C21 | H21 | 179.5° | 179.8° |
| C19 | C20 | C24 | C23 | 0.4° | 0.3° |
| C19 | C20 | C24 | H24 | 179.6° | 179.9° |
| C21 | C19 | C20 | C24 | 0.2° | 0.3° |
| C19 | C21 | C22 | H21 | 180.0° | 180.0° |
| C19 | C21 | C22 | C23 | 0.9° | 0.0° |
| C19 | C21 | C22 | N28 | 179.8° | 180.0° |
| C20 | C24 | C23 | C22 | 0.0° | 0.1° |
| C20 | C24 | C23 | H24 | 180.0° | 179.8° |
| C20 | C24 | C23 | H23 | 180.0° | 179.8° |
| C21 | C22 | C23 | N28 | 179.3° | 180.0° |
| C21 | C22 | C23 | C24 | 0.6° | 0.0° |
| C21 | C22 | C23 | H23 | 179.4° | 180.0° |
| C21 | C22 | N28 | C29 | 5.9° | 180.0° |
| C21 | C22 | N28 | H28 | 114.1° | 0.0° |
| H21 | C21 | C22 | C23 | 179.1° | 180.0° |
| H21 | C21 | C22 | N28 | 0.3° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | H24 | 180.0° | 179.9° |
| C23 | C22 | N28 | C29 | 173.4° | 0.0° |
| C23 | C22 | N28 | H28 | 66.5° | 180.0° |
| N28 | C22 | C23 | C24 | 180.0° | 180.0° |
| N28 | C22 | C23 | H23 | 0.1° | 0.1° |
| C22 | N28 | C29 | H28 | 120.0° | 180.0° |
| C22 | N28 | C29 | C30 | 86.3° | 155.0° |
| C22 | N28 | C29 | C34 | 150.3° | 84.9° |
| C22 | N28 | C29 | H29 | 32.4° | 35.1° |
| H23 | C23 | C24 | H24 | 0.0° | 0.0° |
| N28 | C29 | C30 | C34 | 122.8° | 120.0° |
| N28 | C29 | C30 | H29 | 119.4° | 120.0° |
| N28 | C29 | C34 | H29 | 119.4° | 120.0° |
| N28 | C29 | C30 | C31 | 178.3° | 178.6° |
| N28 | C29 | C30 | H301 | 58.9° | 58.7° |
| N28 | C29 | C30 | H302 | 61.6° | 61.5° |
| N28 | C29 | C34 | C33 | 177.7° | 178.6° |
| N28 | C29 | C34 | H341 | 62.5° | 61.4° |
| N28 | C29 | C34 | H342 | 57.7° | 58.7° |
| H28 | N28 | C29 | C30 | 33.7° | 25.0° |
| H28 | N28 | C29 | C34 | 89.7° | 95.1° |
| H28 | N28 | C29 | H29 | 152.5° | 144.9° |
| C30 | C29 | C34 | H29 | 118.6° | 120.0° |
| C29 | C30 | C31 | H301 | 119.5° | 119.9° |
| C29 | C30 | C31 | H302 | 120.0° | 119.9° |
| C29 | C30 | H301 | H302 | 119.6° | 120.1° |
| C29 | C30 | C31 | N32 | 55.8° | 54.7° |
| C29 | C30 | C31 | H311 | 176.5° | 65.1° |
| C29 | C30 | C31 | H312 | 64.1° | 174.4° |
| C30 | C29 | C34 | C33 | 55.8° | 61.4° |
| C30 | C29 | C34 | H341 | 175.5° | 58.5° |
| C30 | C29 | C34 | H342 | 64.3° | 178.7° |
| C34 | C29 | C30 | C31 | 55.5° | 61.4° |
| C34 | C29 | C30 | H301 | 63.9° | 178.7° |
| C34 | C29 | C30 | H302 | 175.6° | 58.5° |
| C29 | C34 | C33 | N32 | 57.0° | 54.6° |
| C29 | C34 | C33 | H341 | 119.8° | 119.9° |
| C29 | C34 | C33 | H342 | 120.0° | 119.9° |
| C29 | C34 | C33 | H331 | 177.5° | 65.2° |
| C29 | C34 | C33 | H332 | 63.1° | 174.4° |
| C29 | C34 | H341 | H342 | 119.8° | 120.1° |
| H29 | C29 | C30 | C31 | 62.2° | 58.6° |
| H29 | C29 | C30 | H301 | 178.3° | 61.3° |
| H29 | C29 | C30 | H302 | 57.8° | 178.6° |
| H29 | C29 | C34 | C33 | 62.9° | 58.6° |
| H29 | C29 | C34 | H341 | 56.9° | 178.6° |
| H29 | C29 | C34 | H342 | 177.1° | 61.3° |
| C31 | C30 | H301 | H302 | 119.6° | 120.1° |
| C30 | C31 | N32 | H311 | 120.7° | 119.8° |
| C30 | C31 | N32 | H312 | 120.0° | 119.8° |
| C30 | C31 | H311 | H312 | 120.5° | 120.4° |
| C30 | C31 | N32 | C33 | 61.1° | 53.6° |
| C30 | C31 | N32 | S44 | 155.7° | 126.4° |
| H301 | C30 | C31 | N32 | 63.6° | 174.6° |
| H301 | C30 | C31 | H311 | 57.0° | 54.8° |
| H301 | C30 | C31 | H312 | 176.4° | 65.7° |
| H302 | C30 | C31 | N32 | 175.9° | 65.3° |
| H302 | C30 | C31 | H311 | 63.5° | 174.9° |
| H302 | C30 | C31 | H312 | 55.9° | 54.5° |
| N32 | C31 | H311 | H312 | 120.5° | 120.3° |
| C31 | N32 | C33 | S44 | 142.6° | 180.0° |
| C31 | N32 | C33 | C34 | 61.9° | 53.6° |
| C31 | N32 | C33 | H331 | 177.5° | 66.2° |
| C31 | N32 | C33 | H332 | 58.1° | 173.4° |
| C31 | N32 | S44 | C45 | 105.9° | 90.0° |
| C31 | N32 | S44 | O59 | 8.9° | 153.8° |
| C31 | N32 | S44 | O60 | 140.1° | 26.2° |
| H311 | C31 | N32 | C33 | 178.2° | 66.2° |
| H311 | C31 | N32 | S44 | 35.0° | 113.8° |
| H312 | C31 | N32 | C33 | 58.9° | 173.4° |
| H312 | C31 | N32 | S44 | 84.3° | 6.6° |
| N32 | C33 | C34 | H331 | 120.6° | 119.8° |
| N32 | C33 | C34 | H332 | 120.0° | 119.8° |
| N32 | C33 | H331 | H332 | 120.4° | 120.4° |
| N32 | C33 | C34 | H341 | 176.8° | 65.3° |
| N32 | C33 | C34 | H342 | 63.0° | 174.6° |
| C33 | N32 | S44 | C45 | 112.7° | 90.0° |
| C33 | N32 | S44 | O59 | 132.6° | 26.2° |
| C33 | N32 | S44 | O60 | 1.4° | 153.8° |
| S44 | N32 | C33 | C34 | 155.4° | 126.4° |
| S44 | N32 | C33 | H331 | 34.9° | 113.8° |
| S44 | N32 | C33 | H332 | 84.6° | 6.6° |
| N32 | S44 | C45 | O59 | 114.5° | 109.7° |
| N32 | S44 | C45 | O60 | 112.6° | 109.8° |
| N32 | S44 | O59 | O60 | 124.0° | 114.3° |
| N32 | S44 | C45 | C46 | 43.6° | 180.0° |
| N32 | S44 | C45 | H451 | 76.2° | 60.0° |
| N32 | S44 | C45 | H452 | 163.6° | 60.0° |
| C34 | C33 | H331 | H332 | 120.4° | 120.3° |
| C33 | C34 | H341 | H342 | 119.9° | 120.1° |
| H331 | C33 | C34 | H341 | 62.7° | 174.9° |
| H331 | C33 | C34 | H342 | 57.5° | 54.8° |
| H332 | C33 | C34 | H341 | 56.8° | 54.5° |
| H332 | C33 | C34 | H342 | 176.9° | 65.7° |
| C45 | S44 | O59 | O60 | 126.9° | 135.7° |
| S44 | C45 | C46 | H451 | 119.8° | 120.0° |
| S44 | C45 | C46 | H452 | 120.0° | 120.0° |
| S44 | C45 | H451 | H452 | 119.9° | 120.0° |
| S44 | C45 | C46 | C49 | 104.5° | 90.0° |
| S44 | C45 | C46 | C53 | 75.2° | 90.2° |
| O59 | S44 | C45 | C46 | 158.2° | 70.2° |
| O59 | S44 | C45 | H451 | 38.3° | 169.7° |
| O59 | S44 | C45 | H452 | 81.8° | 49.8° |
| O60 | S44 | C45 | C46 | 69.0° | 70.3° |
| O60 | S44 | C45 | H451 | 171.2° | 49.8° |
| O60 | S44 | C45 | H452 | 51.0° | 169.7° |
| C46 | C45 | H451 | H452 | 119.8° | 120.0° |
| C45 | C46 | C49 | C53 | 179.7° | 179.8° |
| C45 | C46 | C49 | C50 | 179.9° | 180.0° |
| C45 | C46 | C49 | H49 | 0.1° | 0.0° |
| C45 | C46 | C53 | C52 | 179.7° | 179.8° |
| C45 | C46 | C53 | H53 | 0.3° | 0.2° |
| H451 | C45 | C46 | C49 | 15.3° | 30.0° |
| H451 | C45 | C46 | C53 | 164.9° | 149.8° |
| H452 | C45 | C46 | C49 | 135.5° | 150.0° |
| H452 | C45 | C46 | C53 | 44.8° | 29.7° |
| C46 | C49 | C50 | H49 | 180.0° | 180.0° |
| C46 | C49 | C50 | C51 | 0.2° | 0.0° |
| C46 | C49 | C50 | H50 | 179.7° | 179.9° |
| C49 | C46 | C53 | C52 | 0.0° | 0.4° |
| C49 | C46 | C53 | H53 | 179.9° | 179.9° |
| C53 | C46 | C49 | C50 | 0.1° | 0.2° |
| C53 | C46 | C49 | H49 | 179.9° | 179.8° |
| C46 | C53 | C52 | C51 | 0.1° | 0.4° |
| C46 | C53 | C52 | H53 | 180.0° | 179.6° |
| C46 | C53 | C52 | H52 | 179.9° | 179.8° |
| C49 | C50 | C51 | H50 | 180.0° | 179.9° |
| C49 | C50 | C51 | C52 | 0.2° | 0.0° |
| C49 | C50 | C51 | H51 | 179.9° | 179.9° |
| H49 | C49 | C50 | C51 | 179.8° | 180.0° |
| H49 | C49 | C50 | H50 | 0.3° | 0.0° |
| C50 | C51 | C52 | H51 | 180.0° | 180.0° |
| C50 | C51 | C52 | C53 | 0.0° | 0.2° |
| C50 | C51 | C52 | H52 | 180.0° | 180.0° |
| H50 | C50 | C51 | C52 | 179.8° | 180.0° |
| H50 | C50 | C51 | H51 | 0.2° | 0.0° |
| C51 | C52 | C53 | H52 | 180.0° | 179.8° |
| C51 | C52 | C53 | H53 | 179.9° | 180.0° |
| H51 | C51 | C52 | C53 | 180.0° | 179.9° |
| H51 | C51 | C52 | H52 | 0.0° | 0.1° |
| H52 | C52 | C53 | H53 | 0.1° | 0.2° |
