527
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | C2 | sing | 1.78Å | 1.79Å | Aromatic |
| S1 | C5 | sing | 1.79Å | 1.80Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.32Å | Aromatic |
| C2 | C6 | sing | 1.41Å | 1.45Å | |
| C3 | C4 | sing | 1.37Å | 1.47Å | Aromatic |
| C3 | O20 | sing | 1.36Å | 1.33Å | |
| C4 | C5 | doub | 1.38Å | 1.34Å | Aromatic |
| C4 | BR19 | sing | 1.89Å | 1.86Å | |
| C5 | C9 | sing | 1.48Å | 1.48Å | Aromatic |
| C6 | O7 | doub | 1.22Å | 1.25Å | |
| C6 | O8 | sing | 1.35Å | 1.25Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C9 | C10 | sing | 1.39Å | 1.45Å | Aromatic |
| C9 | C14 | doub | 1.40Å | 1.46Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.39Å | 1.46Å | Aromatic |
| C11 | N29 | sing | 1.40Å | 1.36Å | |
| C12 | C13 | doub | 1.38Å | 1.45Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.38Å | 1.43Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| O20 | C21 | sing | 1.43Å | 1.41Å | |
| C21 | C22 | sing | 1.51Å | 1.46Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | O25 | doub | 1.21Å | 1.24Å | |
| C22 | O26 | sing | 1.34Å | 1.25Å | |
| O26 | HO26 | sing | 0.97Å | 0.95Å | |
| N29 | C30 | sing | 1.46Å | 1.43Å | |
| N29 | HN29 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | C35 | sing | 1.53Å | 1.53Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | N33 | sing | 1.47Å | 1.46Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| N33 | C34 | sing | 1.47Å | 1.46Å | |
| N33 | S46 | sing | 1.66Å | 1.71Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| S46 | O47 | doub | 1.42Å | 1.45Å | |
| S46 | O48 | doub | 1.42Å | 1.45Å | |
| S46 | C49 | sing | 1.81Å | 1.81Å | |
| C49 | C50 | sing | 1.51Å | 1.50Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C50 | C53 | doub | 1.38Å | 1.45Å | Aromatic |
| C50 | C57 | sing | 1.38Å | 1.47Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.45Å | Aromatic |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C54 | C55 | doub | 1.38Å | 1.46Å | Aromatic |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C55 | C56 | sing | 1.38Å | 1.45Å | Aromatic |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C56 | C57 | doub | 1.38Å | 1.45Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C57 | H57 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | S1 | C5 | 92.5° | 98.3° |
| S1 | C2 | C3 | 110.2° | 102.2° |
| S1 | C2 | C6 | 119.7° | 128.9° |
| S1 | C5 | C4 | 107.4° | 102.3° |
| S1 | C5 | C9 | 119.8° | 128.8° |
| C3 | C2 | C6 | 129.8° | 128.9° |
| C2 | C3 | C4 | 113.7° | 118.4° |
| C2 | C3 | O20 | 120.9° | 120.8° |
| C2 | C6 | O7 | 112.0° | 120.0° |
| C2 | C6 | O8 | 124.2° | 120.0° |
| C4 | C3 | O20 | 125.3° | 120.8° |
| C3 | C4 | C5 | 116.2° | 118.8° |
| C3 | C4 | BR19 | 117.6° | 120.6° |
| C3 | O20 | C21 | 115.9° | 106.8° |
| C5 | C4 | BR19 | 126.0° | 120.6° |
| C4 | C5 | C9 | 132.6° | 128.9° |
| C5 | C9 | C10 | 122.0° | 120.2° |
| C5 | C9 | C14 | 117.5° | 120.1° |
| O7 | C6 | O8 | 123.8° | 120.0° |
| C6 | O8 | HO8 | 109.5° | 106.8° |
| C10 | C9 | C14 | 120.4° | 119.8° |
| C9 | C10 | C11 | 118.8° | 119.8° |
| C9 | C10 | H10 | 120.6° | 120.1° |
| C9 | C14 | C13 | 121.3° | 120.0° |
| C9 | C14 | H14 | 119.3° | 120.0° |
| C11 | C10 | H10 | 120.6° | 120.1° |
| C10 | C11 | C12 | 120.3° | 120.0° |
| C10 | C11 | N29 | 113.8° | 120.0° |
| C12 | C11 | N29 | 125.9° | 120.0° |
| C11 | C12 | C13 | 121.5° | 120.2° |
| C11 | C12 | H12 | 119.3° | 119.9° |
| C11 | N29 | C30 | 122.6° | 120.0° |
| C11 | N29 | HN29 | 105.3° | 120.0° |
| C13 | C12 | H12 | 119.2° | 119.9° |
| C12 | C13 | C14 | 117.7° | 120.3° |
| C12 | C13 | H13 | 121.2° | 119.8° |
| C14 | C13 | H13 | 121.1° | 119.9° |
| C13 | C14 | H14 | 119.3° | 120.0° |
| O20 | C21 | C22 | 106.0° | 109.5° |
| O20 | C21 | H211 | 111.4° | 109.5° |
| O20 | C21 | H212 | 110.6° | 109.5° |
| C22 | C21 | H211 | 111.4° | 109.4° |
| C22 | C21 | H212 | 110.7° | 109.4° |
| C21 | C22 | O25 | 115.6° | 120.0° |
| C21 | C22 | O26 | 120.0° | 120.0° |
| H211 | C21 | H212 | 106.8° | 109.5° |
| O25 | C22 | O26 | 124.4° | 120.0° |
| C22 | O26 | HO26 | 109.5° | 120.0° |
| C30 | N29 | HN29 | 105.3° | 120.0° |
| N29 | C30 | C31 | 107.9° | 109.4° |
| N29 | C30 | C35 | 110.1° | 109.5° |
| N29 | C30 | H30 | 111.0° | 109.5° |
| C31 | C30 | C35 | 112.2° | 109.5° |
| C31 | C30 | H30 | 108.9° | 109.5° |
| C30 | C31 | C32 | 113.4° | 109.3° |
| C30 | C31 | H311 | 107.3° | 109.5° |
| C30 | C31 | H312 | 108.2° | 109.5° |
| C35 | C30 | H30 | 106.6° | 109.5° |
| C30 | C35 | C34 | 113.2° | 109.3° |
| C30 | C35 | H351 | 107.4° | 109.5° |
| C30 | C35 | H352 | 108.2° | 109.5° |
| C32 | C31 | H311 | 107.3° | 109.5° |
| C32 | C31 | H312 | 108.2° | 109.6° |
| C31 | C32 | N33 | 107.3° | 108.8° |
| C31 | C32 | H321 | 110.7° | 109.6° |
| C31 | C32 | H322 | 110.2° | 109.6° |
| H311 | C31 | H312 | 112.5° | 109.5° |
| N33 | C32 | H321 | 110.7° | 109.6° |
| N33 | C32 | H322 | 110.2° | 109.6° |
| C32 | N33 | C34 | 121.2° | 118.7° |
| C32 | N33 | S46 | 119.1° | 120.6° |
| H321 | C32 | H322 | 107.8° | 109.7° |
| C34 | N33 | S46 | 115.3° | 120.7° |
| N33 | C34 | C35 | 108.1° | 108.8° |
| N33 | C34 | H341 | 110.2° | 109.6° |
| N33 | C34 | H342 | 109.9° | 109.6° |
| N33 | S46 | O47 | 105.6° | 102.8° |
| N33 | S46 | O48 | 106.1° | 102.8° |
| N33 | S46 | C49 | 101.5° | 103.2° |
| C35 | C34 | H341 | 110.2° | 109.6° |
| C35 | C34 | H342 | 109.9° | 109.6° |
| C34 | C35 | H351 | 107.4° | 109.5° |
| C34 | C35 | H352 | 108.3° | 109.5° |
| H341 | C34 | H342 | 108.4° | 109.6° |
| H351 | C35 | H352 | 112.4° | 109.5° |
| O47 | S46 | O48 | 119.8° | 122.1° |
| O47 | S46 | C49 | 107.2° | 111.6° |
| O48 | S46 | C49 | 114.7° | 111.6° |
| S46 | C49 | C50 | 108.7° | 109.5° |
| S46 | C49 | H491 | 109.9° | 109.5° |
| S46 | C49 | H492 | 109.7° | 109.5° |
| C50 | C49 | H491 | 109.9° | 109.4° |
| C50 | C49 | H492 | 109.7° | 109.5° |
| C49 | C50 | C53 | 116.4° | 120.0° |
| C49 | C50 | C57 | 119.5° | 120.0° |
| H491 | C49 | H492 | 108.9° | 109.5° |
| C53 | C50 | C57 | 124.0° | 120.0° |
| C50 | C53 | C54 | 117.3° | 120.0° |
| C50 | C53 | H53 | 121.3° | 120.0° |
| C50 | C57 | C56 | 117.7° | 120.0° |
| C50 | C57 | H57 | 121.2° | 120.0° |
| C54 | C53 | H53 | 121.3° | 120.0° |
| C53 | C54 | C55 | 119.8° | 119.9° |
| C53 | C54 | H54 | 120.1° | 120.0° |
| C55 | C54 | H54 | 120.1° | 120.0° |
| C54 | C55 | C56 | 122.2° | 120.0° |
| C54 | C55 | H55 | 118.9° | 120.0° |
| C56 | C55 | H55 | 118.9° | 120.0° |
| C55 | C56 | C57 | 119.0° | 120.0° |
| C55 | C56 | H56 | 120.6° | 120.0° |
| C57 | C56 | H56 | 120.5° | 120.0° |
| C56 | C57 | H57 | 121.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C2 | C3 | C6 | 173.2° | 179.7° |
| S1 | C2 | C3 | C4 | 1.9° | 0.4° |
| S1 | C2 | C3 | O20 | 177.8° | 179.9° |
| C2 | S1 | C5 | C4 | 1.8° | 0.2° |
| C2 | S1 | C5 | C9 | 178.4° | 179.9° |
| S1 | C2 | C6 | O7 | 14.5° | 180.0° |
| S1 | C2 | C6 | O8 | 166.0° | 0.1° |
| C5 | S1 | C2 | C3 | 0.1° | 0.3° |
| C5 | S1 | C2 | C6 | 174.1° | 179.9° |
| S1 | C5 | C4 | C3 | 3.3° | 0.0° |
| S1 | C5 | C4 | C9 | 176.0° | 179.9° |
| S1 | C5 | C4 | BR19 | 171.6° | 180.0° |
| S1 | C5 | C9 | C10 | 150.7° | 39.7° |
| S1 | C5 | C9 | C14 | 30.5° | 140.1° |
| C2 | C3 | C4 | O20 | 175.7° | 179.7° |
| C2 | C3 | C4 | C5 | 3.6° | 0.3° |
| C2 | C3 | C4 | BR19 | 171.7° | 179.7° |
| C3 | C2 | C6 | O7 | 158.2° | 0.4° |
| C3 | C2 | C6 | O8 | 21.3° | 179.6° |
| C2 | C3 | O20 | C21 | 104.9° | 90.3° |
| C6 | C2 | C3 | C4 | 175.1° | 179.9° |
| C6 | C2 | C3 | O20 | 9.0° | 0.2° |
| C2 | C6 | O7 | O8 | 179.5° | 180.0° |
| C2 | C6 | O8 | HO8 | 179.4° | 180.0° |
| C3 | C4 | C5 | BR19 | 174.8° | 180.0° |
| C3 | C4 | C5 | C9 | 179.3° | 179.9° |
| C4 | C3 | O20 | C21 | 79.7° | 90.0° |
| O20 | C3 | C4 | C5 | 179.3° | 180.0° |
| O20 | C3 | C4 | BR19 | 4.0° | 0.0° |
| C3 | O20 | C21 | C22 | 168.7° | 180.0° |
| C3 | O20 | C21 | H211 | 70.0° | 60.0° |
| C3 | O20 | C21 | H212 | 48.7° | 60.0° |
| C4 | C5 | C9 | C10 | 33.7° | 140.2° |
| C4 | C5 | C9 | C14 | 145.1° | 40.0° |
| BR19 | C4 | C5 | C9 | 4.4° | 0.1° |
| C5 | C9 | C10 | C14 | 178.8° | 179.8° |
| C5 | C9 | C10 | C11 | 176.6° | 179.7° |
| C5 | C9 | C10 | H10 | 3.4° | 0.2° |
| C5 | C9 | C14 | C13 | 175.9° | 180.0° |
| C5 | C9 | C14 | H14 | 4.0° | 0.1° |
| O7 | C6 | O8 | HO8 | 0.0° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.4° |
| C9 | C10 | C11 | C12 | 0.9° | 0.6° |
| C9 | C10 | C11 | N29 | 179.5° | 179.7° |
| C10 | C9 | C14 | C13 | 2.9° | 0.2° |
| C10 | C9 | C14 | H14 | 177.1° | 179.7° |
| C14 | C9 | C10 | C11 | 2.2° | 0.6° |
| C14 | C9 | C10 | H10 | 177.9° | 180.0° |
| C9 | C14 | C13 | C12 | 2.2° | 0.1° |
| C9 | C14 | C13 | H14 | 180.0° | 179.9° |
| C9 | C14 | C13 | H13 | 177.9° | 180.0° |
| C10 | C11 | C12 | N29 | 179.6° | 179.6° |
| C10 | C11 | C12 | C13 | 0.2° | 0.4° |
| C10 | C11 | C12 | H12 | 179.8° | 179.7° |
| C10 | C11 | N29 | C30 | 148.2° | 179.6° |
| C10 | C11 | N29 | HN29 | 91.8° | 0.3° |
| H10 | C10 | C11 | C12 | 179.2° | 179.9° |
| H10 | C10 | C11 | N29 | 0.5° | 0.3° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.8° | 0.0° |
| C11 | C12 | C13 | H13 | 179.2° | 179.9° |
| C12 | C11 | N29 | C30 | 32.2° | 0.0° |
| C12 | C11 | N29 | HN29 | 87.8° | 180.0° |
| N29 | C11 | C12 | C13 | 179.8° | 180.0° |
| N29 | C11 | C12 | H12 | 0.2° | 0.1° |
| C11 | N29 | C30 | HN29 | 120.0° | 180.0° |
| C11 | N29 | C30 | C31 | 176.6° | 155.0° |
| C11 | N29 | C30 | C35 | 60.6° | 85.0° |
| C11 | N29 | C30 | H30 | 57.3° | 35.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | H14 | 177.9° | 180.0° |
| H12 | C12 | C13 | C14 | 179.2° | 180.0° |
| H12 | C12 | C13 | H13 | 0.8° | 0.0° |
| H13 | C13 | C14 | H14 | 2.1° | 0.1° |
| O20 | C21 | C22 | H211 | 121.3° | 120.0° |
| O20 | C21 | C22 | H212 | 120.0° | 120.0° |
| O20 | C21 | H211 | H212 | 120.9° | 120.0° |
| O20 | C21 | C22 | O25 | 166.2° | 0.0° |
| O20 | C21 | C22 | O26 | 13.9° | 180.0° |
| C22 | C21 | H211 | H212 | 120.9° | 119.9° |
| C21 | C22 | O25 | O26 | 179.9° | 180.0° |
| C21 | C22 | O26 | HO26 | 179.9° | 180.0° |
| H211 | C21 | C22 | O25 | 72.4° | 120.1° |
| H211 | C21 | C22 | O26 | 107.5° | 60.0° |
| H212 | C21 | C22 | O25 | 46.2° | 120.0° |
| H212 | C21 | C22 | O26 | 133.9° | 60.0° |
| O25 | C22 | O26 | HO26 | 0.0° | 0.0° |
| N29 | C30 | C31 | C35 | 121.5° | 120.0° |
| N29 | C30 | C31 | H30 | 120.6° | 120.0° |
| N29 | C30 | C35 | H30 | 120.6° | 120.0° |
| N29 | C30 | C31 | C32 | 172.8° | 178.6° |
| N29 | C30 | C31 | H311 | 54.6° | 58.7° |
| N29 | C30 | C31 | H312 | 67.2° | 61.4° |
| N29 | C30 | C35 | C34 | 170.8° | 178.6° |
| N29 | C30 | C35 | H351 | 70.8° | 61.4° |
| N29 | C30 | C35 | H352 | 50.8° | 58.7° |
| HN29 | N29 | C30 | C31 | 56.6° | 25.0° |
| HN29 | N29 | C30 | C35 | 179.4° | 95.1° |
| HN29 | N29 | C30 | H30 | 62.7° | 144.9° |
| C31 | C30 | C35 | H30 | 119.2° | 120.0° |
| C30 | C31 | C32 | H311 | 118.3° | 119.9° |
| C30 | C31 | C32 | H312 | 120.0° | 120.0° |
| C30 | C31 | H311 | H312 | 119.0° | 120.1° |
| C30 | C31 | C32 | N33 | 49.8° | 54.7° |
| C30 | C31 | C32 | H321 | 170.6° | 65.1° |
| C30 | C31 | C32 | H322 | 70.2° | 174.4° |
| C31 | C30 | C35 | C34 | 50.6° | 61.4° |
| C31 | C30 | C35 | H351 | 169.0° | 58.6° |
| C31 | C30 | C35 | H352 | 69.4° | 178.7° |
| C35 | C30 | C31 | C32 | 51.3° | 61.4° |
| C35 | C30 | C31 | H311 | 67.0° | 178.7° |
| C35 | C30 | C31 | H312 | 171.3° | 58.6° |
| C30 | C35 | C34 | N33 | 48.8° | 54.6° |
| C30 | C35 | C34 | H351 | 118.4° | 120.0° |
| C30 | C35 | C34 | H352 | 120.0° | 119.9° |
| C30 | C35 | C34 | H341 | 169.3° | 65.1° |
| C30 | C35 | C34 | H342 | 71.2° | 174.5° |
| C30 | C35 | H351 | H352 | 119.0° | 120.1° |
| H30 | C30 | C31 | C32 | 66.5° | 58.6° |
| H30 | C30 | C31 | H311 | 175.2° | 61.3° |
| H30 | C30 | C31 | H312 | 53.5° | 178.6° |
| H30 | C30 | C35 | C34 | 68.6° | 58.6° |
| H30 | C30 | C35 | H351 | 49.8° | 178.6° |
| H30 | C30 | C35 | H352 | 171.4° | 61.3° |
| C32 | C31 | H311 | H312 | 118.9° | 120.1° |
| C31 | C32 | N33 | H321 | 120.8° | 119.8° |
| C31 | C32 | N33 | H322 | 120.0° | 119.7° |
| C31 | C32 | H321 | H322 | 120.6° | 120.4° |
| C31 | C32 | N33 | C34 | 54.8° | 53.6° |
| C31 | C32 | N33 | S46 | 149.8° | 126.4° |
| H311 | C31 | C32 | N33 | 68.5° | 174.5° |
| H311 | C31 | C32 | H321 | 52.3° | 54.7° |
| H311 | C31 | C32 | H322 | 171.5° | 65.7° |
| H312 | C31 | C32 | N33 | 169.8° | 65.3° |
| H312 | C31 | C32 | H321 | 69.3° | 174.9° |
| H312 | C31 | C32 | H322 | 49.8° | 54.4° |
| N33 | C32 | H321 | H322 | 120.6° | 120.3° |
| C32 | N33 | C34 | S46 | 156.2° | 180.0° |
| C32 | N33 | C34 | C35 | 54.6° | 53.6° |
| C32 | N33 | C34 | H341 | 175.1° | 66.2° |
| C32 | N33 | C34 | H342 | 65.4° | 173.4° |
| C32 | N33 | S46 | O47 | 170.9° | 26.2° |
| C32 | N33 | S46 | O48 | 42.8° | 153.8° |
| C32 | N33 | S46 | C49 | 77.4° | 90.0° |
| H321 | C32 | N33 | C34 | 175.7° | 66.2° |
| H321 | C32 | N33 | S46 | 28.9° | 113.8° |
| H322 | C32 | N33 | C34 | 65.2° | 173.3° |
| H322 | C32 | N33 | S46 | 90.2° | 6.6° |
| N33 | C34 | C35 | H341 | 120.5° | 119.8° |
| N33 | C34 | C35 | H342 | 120.0° | 119.8° |
| N33 | C34 | H341 | H342 | 120.4° | 120.3° |
| N33 | C34 | C35 | H351 | 167.2° | 65.3° |
| N33 | C34 | C35 | H352 | 71.2° | 174.6° |
| C34 | N33 | S46 | O47 | 32.3° | 153.8° |
| C34 | N33 | S46 | O48 | 160.4° | 26.2° |
| C34 | N33 | S46 | C49 | 79.4° | 90.0° |
| S46 | N33 | C34 | C35 | 149.1° | 126.4° |
| S46 | N33 | C34 | H341 | 28.6° | 113.8° |
| S46 | N33 | C34 | H342 | 90.9° | 6.5° |
| N33 | S46 | O47 | O48 | 119.4° | 114.3° |
| N33 | S46 | O47 | C49 | 107.7° | 110.0° |
| N33 | S46 | O48 | C49 | 111.2° | 110.0° |
| N33 | S46 | C49 | C50 | 170.3° | 180.0° |
| N33 | S46 | C49 | H491 | 69.4° | 60.1° |
| N33 | S46 | C49 | H492 | 50.3° | 60.0° |
| C35 | C34 | H341 | H342 | 120.4° | 120.4° |
| C34 | C35 | H351 | H352 | 119.0° | 120.1° |
| H341 | C34 | C35 | H351 | 72.3° | 174.9° |
| H341 | C34 | C35 | H352 | 49.3° | 54.8° |
| H342 | C34 | C35 | H351 | 47.2° | 54.5° |
| H342 | C34 | C35 | H352 | 168.8° | 65.6° |
| O47 | S46 | O48 | C49 | 129.6° | 135.7° |
| O47 | S46 | C49 | C50 | 59.8° | 70.2° |
| O47 | S46 | C49 | H491 | 179.9° | 49.7° |
| O47 | S46 | C49 | H492 | 60.2° | 169.8° |
| O48 | S46 | C49 | C50 | 75.8° | 70.3° |
| O48 | S46 | C49 | H491 | 44.5° | 169.8° |
| O48 | S46 | C49 | H492 | 164.2° | 49.8° |
| S46 | C49 | C50 | H491 | 120.3° | 120.0° |
| S46 | C49 | C50 | H492 | 120.0° | 120.0° |
| S46 | C49 | H491 | H492 | 120.2° | 120.0° |
| S46 | C49 | C50 | C53 | 85.0° | 90.0° |
| S46 | C49 | C50 | C57 | 90.9° | 90.3° |
| C50 | C49 | H491 | H492 | 120.2° | 120.0° |
| C49 | C50 | C53 | C57 | 175.7° | 179.8° |
| C49 | C50 | C53 | C54 | 174.9° | 180.0° |
| C49 | C50 | C53 | H53 | 5.1° | 0.1° |
| C49 | C50 | C57 | C56 | 175.4° | 179.8° |
| C49 | C50 | C57 | H57 | 4.6° | 0.1° |
| H491 | C49 | C50 | C53 | 35.3° | 30.0° |
| H491 | C49 | C50 | C57 | 148.8° | 149.8° |
| H492 | C49 | C50 | C53 | 155.0° | 150.0° |
| H492 | C49 | C50 | C57 | 29.1° | 29.8° |
| C50 | C53 | C54 | H53 | 180.0° | 179.9° |
| C50 | C53 | C54 | C55 | 1.9° | 0.1° |
| C50 | C53 | C54 | H54 | 178.1° | 180.0° |
| C53 | C50 | C57 | C56 | 0.2° | 0.4° |
| C53 | C50 | C57 | H57 | 179.8° | 179.9° |
| C57 | C50 | C53 | C54 | 0.7° | 0.3° |
| C57 | C50 | C53 | H53 | 179.2° | 179.8° |
| C50 | C57 | C56 | C55 | 0.8° | 0.4° |
| C50 | C57 | C56 | H57 | 180.0° | 179.7° |
| C50 | C57 | C56 | H56 | 179.2° | 179.8° |
| C53 | C54 | C55 | H54 | 180.0° | 180.0° |
| C53 | C54 | C55 | C56 | 2.6° | 0.0° |
| C53 | C54 | C55 | H55 | 177.4° | 180.0° |
| H53 | C53 | C54 | C55 | 178.1° | 180.0° |
| H53 | C53 | C54 | H54 | 1.9° | 0.1° |
| C54 | C55 | C56 | H55 | 180.0° | 180.0° |
| C54 | C55 | C56 | C57 | 2.0° | 0.1° |
| C54 | C55 | C56 | H56 | 178.0° | 180.0° |
| H54 | C54 | C55 | C56 | 177.4° | 180.0° |
| H54 | C54 | C55 | H55 | 2.6° | 0.0° |
| C55 | C56 | C57 | H56 | 180.0° | 179.9° |
| C55 | C56 | C57 | H57 | 179.2° | 180.0° |
| H55 | C55 | C56 | C57 | 177.9° | 179.8° |
| H55 | C55 | C56 | H56 | 2.1° | 0.1° |
| H56 | C56 | C57 | H57 | 0.8° | 0.1° |
