902
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | C5 | sing | 1.71Å | 1.68Å | Aromatic |
| S1 | C2 | sing | 1.71Å | 1.68Å | Aromatic |
| C2 | C6 | sing | 1.48Å | 1.48Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.42Å | 1.42Å | Aromatic |
| C3 | O20 | sing | 1.35Å | 1.44Å | |
| C4 | C5 | doub | 1.38Å | 1.43Å | Aromatic |
| C4 | BR19 | sing | 1.89Å | 1.90Å | |
| C5 | C9 | sing | 1.44Å | 1.48Å | Aromatic |
| C6 | N7 | doub | 1.33Å | 1.36Å | Aromatic |
| C6 | N8 | sing | 1.36Å | 1.36Å | Aromatic |
| N7 | N62 | sing | 1.34Å | 1.36Å | Aromatic |
| N8 | N61 | doub | 1.33Å | 1.36Å | Aromatic |
| C9 | C14 | doub | 1.39Å | 1.44Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.41Å | 1.42Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| C11 | C12 | sing | 1.41Å | 1.44Å | Aromatic |
| C11 | N28 | sing | 1.38Å | 1.38Å | |
| C12 | C13 | doub | 1.39Å | 1.43Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C13 | C14 | sing | 1.40Å | 1.43Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| O20 | C21 | sing | 1.43Å | 1.44Å | |
| C21 | C22 | sing | 1.50Å | 1.54Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | O26 | doub | 1.22Å | 1.23Å | |
| C22 | O25 | sing | 1.36Å | 1.23Å | |
| O25 | HO25 | sing | 0.98Å | 0.95Å | |
| N28 | C29 | sing | 1.44Å | 1.47Å | |
| N28 | HN28 | sing | 1.01Å | 1.00Å | |
| C29 | C34 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C29 | H29 | sing | 1.10Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C30 | H301 | sing | 1.10Å | 1.10Å | |
| C30 | H302 | sing | 1.10Å | 1.10Å | |
| C31 | N32 | sing | 1.49Å | 1.49Å | |
| C31 | H311 | sing | 1.10Å | 1.10Å | |
| C31 | H312 | sing | 1.10Å | 1.10Å | |
| N32 | C33 | sing | 1.49Å | 1.50Å | |
| N32 | S44 | sing | 1.72Å | 1.65Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C33 | H331 | sing | 1.10Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.10Å | 1.10Å | |
| C34 | H342 | sing | 1.10Å | 1.10Å | |
| S44 | C47 | sing | 1.77Å | 1.78Å | |
| S44 | O46 | doub | 1.45Å | 1.45Å | |
| S44 | O45 | doub | 1.45Å | 1.43Å | |
| C47 | C48 | sing | 1.50Å | 1.51Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C48 | C55 | doub | 1.39Å | 1.44Å | Aromatic |
| C48 | C51 | sing | 1.39Å | 1.44Å | Aromatic |
| C51 | C52 | doub | 1.39Å | 1.43Å | Aromatic |
| C51 | H51 | sing | 1.09Å | 1.08Å | |
| C52 | C53 | sing | 1.40Å | 1.44Å | Aromatic |
| C52 | H52 | sing | 1.09Å | 1.08Å | |
| C53 | C54 | doub | 1.39Å | 1.44Å | Aromatic |
| C53 | H53 | sing | 1.09Å | 1.08Å | |
| C54 | C55 | sing | 1.40Å | 1.43Å | Aromatic |
| C54 | H54 | sing | 1.09Å | 1.08Å | |
| C55 | H55 | sing | 1.09Å | 1.08Å | |
| N61 | N62 | sing | 1.34Å | 1.36Å | Aromatic |
| N62 | HN62 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | S1 | C2 | 96.6° | 91.9° |
| S1 | C5 | C4 | 108.9° | 111.8° |
| S1 | C5 | C9 | 119.6° | 118.1° |
| S1 | C2 | C6 | 123.6° | 122.9° |
| S1 | C2 | C3 | 109.0° | 112.1° |
| C6 | C2 | C3 | 127.4° | 125.0° |
| C2 | C6 | N7 | 122.5° | 122.7° |
| C2 | C6 | N8 | 129.4° | 122.8° |
| C2 | C3 | C4 | 113.8° | 112.0° |
| C2 | C3 | O20 | 123.5° | 122.5° |
| C4 | C3 | O20 | 122.7° | 125.5° |
| C3 | C4 | C5 | 111.7° | 112.2° |
| C3 | C4 | BR19 | 123.4° | 122.3° |
| C3 | O20 | C21 | 114.2° | 117.5° |
| C5 | C4 | BR19 | 125.0° | 125.5° |
| C4 | C5 | C9 | 131.5° | 130.1° |
| C5 | C9 | C14 | 118.1° | 119.9° |
| C5 | C9 | C10 | 121.6° | 120.1° |
| N7 | C6 | N8 | 108.1° | 114.5° |
| C6 | N7 | N62 | 108.1° | 99.0° |
| C6 | N8 | N61 | 108.0° | 105.8° |
| N7 | N62 | N61 | 107.8° | 116.1° |
| N7 | N62 | HN62 | 126.1° | 121.9° |
| N8 | N61 | N62 | 107.9° | 104.5° |
| C14 | C9 | C10 | 120.3° | 120.1° |
| C9 | C14 | C13 | 120.7° | 120.0° |
| C9 | C14 | H14 | 119.6° | 120.9° |
| C9 | C10 | C11 | 119.4° | 120.9° |
| C9 | C10 | H10 | 120.3° | 120.3° |
| C11 | C10 | H10 | 120.3° | 118.8° |
| C10 | C11 | C12 | 120.5° | 118.1° |
| C10 | C11 | N28 | 116.8° | 120.9° |
| C12 | C11 | N28 | 122.7° | 121.0° |
| C11 | C12 | C13 | 120.2° | 120.9° |
| C11 | C12 | H12 | 119.9° | 119.7° |
| C11 | N28 | C29 | 125.0° | 123.6° |
| C11 | N28 | HN28 | 104.6° | 118.6° |
| C13 | C12 | H12 | 119.9° | 119.4° |
| C12 | C13 | C14 | 118.9° | 120.0° |
| C12 | C13 | H13 | 120.6° | 119.9° |
| C14 | C13 | H13 | 120.6° | 120.0° |
| C13 | C14 | H14 | 119.6° | 119.1° |
| O20 | C21 | C22 | 112.6° | 109.8° |
| O20 | C21 | H211 | 108.4° | 108.3° |
| O20 | C21 | H212 | 107.7° | 109.0° |
| C22 | C21 | H211 | 108.5° | 109.4° |
| C22 | C21 | H212 | 107.7° | 110.1° |
| C21 | C22 | O26 | 118.3° | 125.9° |
| C21 | C22 | O25 | 120.6° | 110.2° |
| H211 | C21 | H212 | 111.9° | 110.3° |
| O26 | C22 | O25 | 121.1° | 123.9° |
| C22 | O25 | HO25 | 109.5° | 112.0° |
| C29 | N28 | HN28 | 104.6° | 117.8° |
| N28 | C29 | C34 | 109.8° | 111.5° |
| N28 | C29 | C30 | 114.0° | 111.1° |
| N28 | C29 | H29 | 105.5° | 106.8° |
| C34 | C29 | C30 | 107.8° | 110.8° |
| C34 | C29 | H29 | 112.0° | 108.2° |
| C29 | C34 | C33 | 110.4° | 112.6° |
| C29 | C34 | H341 | 109.2° | 108.6° |
| C29 | C34 | H342 | 109.0° | 110.4° |
| C30 | C29 | H29 | 107.7° | 108.3° |
| C29 | C30 | C31 | 108.5° | 112.3° |
| C29 | C30 | H301 | 109.8° | 110.5° |
| C29 | C30 | H302 | 110.0° | 108.7° |
| C31 | C30 | H301 | 109.8° | 109.4° |
| C31 | C30 | H302 | 110.0° | 108.8° |
| C30 | C31 | N32 | 114.0° | 109.5° |
| C30 | C31 | H311 | 108.0° | 108.9° |
| C30 | C31 | H312 | 107.0° | 111.0° |
| H301 | C30 | H302 | 108.7° | 107.0° |
| N32 | C31 | H311 | 108.0° | 109.3° |
| N32 | C31 | H312 | 107.0° | 109.8° |
| C31 | N32 | C33 | 119.7° | 112.2° |
| C31 | N32 | S44 | 119.5° | 115.2° |
| H311 | C31 | H312 | 113.1° | 108.3° |
| C33 | N32 | S44 | 120.8° | 115.2° |
| N32 | C33 | C34 | 115.1° | 109.7° |
| N32 | C33 | H331 | 107.6° | 109.7° |
| N32 | C33 | H332 | 106.3° | 109.3° |
| N32 | S44 | C47 | 110.9° | 99.1° |
| N32 | S44 | O46 | 106.7° | 108.7° |
| N32 | S44 | O45 | 107.6° | 108.7° |
| C34 | C33 | H331 | 107.7° | 110.9° |
| C34 | C33 | H332 | 106.3° | 108.9° |
| C33 | C34 | H341 | 109.2° | 108.7° |
| C33 | C34 | H342 | 109.0° | 109.4° |
| H331 | C33 | H332 | 114.0° | 108.3° |
| H341 | C34 | H342 | 110.1° | 107.0° |
| C47 | S44 | O46 | 107.4° | 108.1° |
| C47 | S44 | O45 | 107.1° | 108.1° |
| S44 | C47 | C48 | 111.7° | 107.7° |
| S44 | C47 | H471 | 108.7° | 108.2° |
| S44 | C47 | H472 | 108.2° | 108.2° |
| O46 | S44 | O45 | 117.2° | 121.8° |
| C48 | C47 | H471 | 108.7° | 111.9° |
| C48 | C47 | H472 | 108.2° | 111.9° |
| C47 | C48 | C55 | 120.3° | 119.8° |
| C47 | C48 | C51 | 118.9° | 119.8° |
| H471 | C47 | H472 | 111.3° | 108.7° |
| C55 | C48 | C51 | 120.8° | 120.4° |
| C48 | C55 | C54 | 119.6° | 119.8° |
| C48 | C55 | H55 | 120.2° | 120.8° |
| C48 | C51 | C52 | 119.8° | 119.8° |
| C48 | C51 | H51 | 120.1° | 120.7° |
| C52 | C51 | H51 | 120.1° | 119.5° |
| C51 | C52 | C53 | 119.3° | 120.0° |
| C51 | C52 | H52 | 120.4° | 120.0° |
| C53 | C52 | H52 | 120.4° | 120.0° |
| C52 | C53 | C54 | 121.5° | 120.0° |
| C52 | C53 | H53 | 119.3° | 120.0° |
| C54 | C53 | H53 | 119.3° | 120.0° |
| C53 | C54 | C55 | 119.1° | 120.0° |
| C53 | C54 | H54 | 120.4° | 120.0° |
| C55 | C54 | H54 | 120.5° | 120.0° |
| C54 | C55 | H55 | 120.2° | 119.5° |
| N61 | N62 | HN62 | 126.1° | 121.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | S1 | C2 | C6 | 179.9° | 179.9° |
| C5 | S1 | C2 | C3 | 0.2° | 0.0° |
| S1 | C5 | C4 | C3 | 0.4° | 0.0° |
| S1 | C5 | C4 | C9 | 179.6° | 180.0° |
| S1 | C5 | C4 | BR19 | 179.7° | 180.0° |
| S1 | C5 | C9 | C14 | 43.3° | 90.0° |
| S1 | C5 | C9 | C10 | 137.8° | 89.9° |
| S1 | C2 | C6 | C3 | 179.7° | 179.9° |
| S1 | C2 | C3 | C4 | 0.0° | 0.0° |
| S1 | C2 | C3 | O20 | 179.6° | 180.0° |
| C2 | S1 | C5 | C4 | 0.4° | 0.0° |
| C2 | S1 | C5 | C9 | 180.0° | 180.0° |
| S1 | C2 | C6 | N7 | 18.6° | 0.1° |
| S1 | C2 | C6 | N8 | 161.2° | 180.0° |
| C6 | C2 | C3 | C4 | 179.7° | 179.9° |
| C6 | C2 | C3 | O20 | 0.7° | 0.0° |
| C2 | C6 | N7 | N8 | 179.9° | 179.9° |
| C2 | C6 | N7 | N62 | 180.0° | 179.9° |
| C2 | C6 | N8 | N61 | 180.0° | 179.9° |
| C2 | C3 | C4 | O20 | 179.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | BR19 | 179.9° | 180.0° |
| C3 | C2 | C6 | N7 | 161.0° | 179.9° |
| C3 | C2 | C6 | N8 | 19.1° | 0.0° |
| C2 | C3 | O20 | C21 | 102.9° | 90.0° |
| C3 | C4 | C5 | BR19 | 179.9° | 180.0° |
| C3 | C4 | C5 | C9 | 180.0° | 180.0° |
| C4 | C3 | O20 | C21 | 77.5° | 90.0° |
| O20 | C3 | C4 | C5 | 179.4° | 180.0° |
| O20 | C3 | C4 | BR19 | 0.6° | 0.1° |
| C3 | O20 | C21 | C22 | 166.2° | 179.4° |
| C3 | O20 | C21 | H211 | 46.2° | 60.0° |
| C3 | O20 | C21 | H212 | 75.1° | 59.9° |
| C4 | C5 | C9 | C14 | 137.1° | 90.0° |
| C4 | C5 | C9 | C10 | 41.7° | 90.0° |
| BR19 | C4 | C5 | C9 | 0.1° | 0.0° |
| C5 | C9 | C14 | C10 | 178.9° | 180.0° |
| C5 | C9 | C10 | C11 | 179.7° | 179.9° |
| C5 | C9 | C10 | H10 | 0.3° | 0.0° |
| C5 | C9 | C14 | C13 | 179.8° | 179.9° |
| C5 | C9 | C14 | H14 | 0.2° | 0.1° |
| N7 | C6 | N8 | N61 | 0.1° | 0.0° |
| C6 | N7 | N62 | N61 | 0.0° | 0.1° |
| C6 | N7 | N62 | HN62 | 180.0° | 179.9° |
| N8 | C6 | N7 | N62 | 0.1° | 0.0° |
| C6 | N8 | N61 | N62 | 0.1° | 0.1° |
| N7 | N62 | N61 | N8 | 0.1° | 0.1° |
| N7 | N62 | N61 | HN62 | 180.0° | 179.8° |
| N8 | N61 | N62 | HN62 | 179.9° | 179.9° |
| C14 | C9 | C10 | C11 | 0.9° | 0.1° |
| C14 | C9 | C10 | H10 | 179.1° | 180.0° |
| C9 | C14 | C13 | C12 | 0.8° | 0.0° |
| C9 | C14 | C13 | H14 | 180.0° | 180.0° |
| C9 | C14 | C13 | H13 | 179.2° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.8° | 0.1° |
| C9 | C10 | C11 | N28 | 179.8° | 179.9° |
| C10 | C9 | C14 | C13 | 0.9° | 0.0° |
| C10 | C9 | C14 | H14 | 179.1° | 179.9° |
| C10 | C11 | C12 | N28 | 178.9° | 179.8° |
| C10 | C11 | C12 | C13 | 0.7° | 0.1° |
| C10 | C11 | C12 | H12 | 179.3° | 179.9° |
| C10 | C11 | N28 | C29 | 124.0° | 0.1° |
| C10 | C11 | N28 | HN28 | 116.0° | 179.9° |
| H10 | C10 | C11 | C12 | 179.2° | 180.0° |
| H10 | C10 | C11 | N28 | 0.2° | 0.2° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.7° | 0.1° |
| C11 | C12 | C13 | H13 | 179.3° | 180.0° |
| C12 | C11 | N28 | C29 | 55.0° | 179.9° |
| C12 | C11 | N28 | HN28 | 65.0° | 0.1° |
| N28 | C11 | C12 | C13 | 179.6° | 179.9° |
| N28 | C11 | C12 | H12 | 0.4° | 0.1° |
| C11 | N28 | C29 | HN28 | 120.0° | 179.9° |
| C11 | N28 | C29 | C34 | 169.3° | 78.0° |
| C11 | N28 | C29 | C30 | 48.2° | 157.9° |
| C11 | N28 | C29 | H29 | 69.8° | 40.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | H14 | 179.2° | 179.9° |
| H12 | C12 | C13 | C14 | 179.3° | 179.9° |
| H12 | C12 | C13 | H13 | 0.7° | 0.0° |
| H13 | C13 | C14 | H14 | 0.8° | 0.0° |
| O20 | C21 | C22 | H211 | 120.0° | 118.7° |
| O20 | C21 | C22 | H212 | 118.6° | 120.0° |
| O20 | C21 | H211 | H212 | 118.7° | 119.1° |
| O20 | C21 | C22 | O26 | 177.5° | 1.3° |
| O20 | C21 | C22 | O25 | 2.6° | 178.6° |
| C22 | C21 | H211 | H212 | 118.7° | 121.3° |
| C21 | C22 | O26 | O25 | 179.9° | 179.9° |
| C21 | C22 | O25 | HO25 | 179.9° | 179.9° |
| H211 | C21 | C22 | O26 | 57.5° | 120.0° |
| H211 | C21 | C22 | O25 | 122.6° | 60.0° |
| H212 | C21 | C22 | O26 | 63.9° | 118.7° |
| H212 | C21 | C22 | O25 | 116.0° | 61.4° |
| O26 | C22 | O25 | HO25 | 0.0° | 0.0° |
| N28 | C29 | C34 | C30 | 124.8° | 124.3° |
| N28 | C29 | C34 | H29 | 116.9° | 117.1° |
| N28 | C29 | C30 | H29 | 116.7° | 117.0° |
| N28 | C29 | C30 | C31 | 171.2° | 73.1° |
| N28 | C29 | C30 | H301 | 68.8° | 49.3° |
| N28 | C29 | C30 | H302 | 50.8° | 166.5° |
| N28 | C29 | C34 | C33 | 172.5° | 73.4° |
| N28 | C29 | C34 | H341 | 52.5° | 166.2° |
| N28 | C29 | C34 | H342 | 67.9° | 49.2° |
| HN28 | N28 | C29 | C34 | 70.7° | 101.9° |
| HN28 | N28 | C29 | C30 | 168.2° | 22.2° |
| HN28 | N28 | C29 | H29 | 50.2° | 140.1° |
| C34 | C29 | C30 | H29 | 121.1° | 118.5° |
| C34 | C29 | C30 | C31 | 66.6° | 51.4° |
| C34 | C29 | C30 | H301 | 53.4° | 173.8° |
| C34 | C29 | C30 | H302 | 173.0° | 69.0° |
| C29 | C34 | C33 | N32 | 43.4° | 54.6° |
| C29 | C34 | C33 | H341 | 120.0° | 120.3° |
| C29 | C34 | C33 | H342 | 119.7° | 123.2° |
| C29 | C34 | C33 | H331 | 76.7° | 66.7° |
| C29 | C34 | C33 | H332 | 160.8° | 174.3° |
| C29 | C34 | H341 | H342 | 119.7° | 119.2° |
| C29 | C30 | C31 | H301 | 120.0° | 123.0° |
| C29 | C30 | C31 | H302 | 120.4° | 120.4° |
| C29 | C30 | H301 | H302 | 120.4° | 118.2° |
| C29 | C30 | C31 | N32 | 51.1° | 55.6° |
| C29 | C30 | C31 | H311 | 171.0° | 175.1° |
| C29 | C30 | C31 | H312 | 66.9° | 65.8° |
| C30 | C29 | C34 | C33 | 62.7° | 50.9° |
| C30 | C29 | C34 | H341 | 177.3° | 69.5° |
| C30 | C29 | C34 | H342 | 56.9° | 173.5° |
| H29 | C29 | C30 | C31 | 54.4° | 169.9° |
| H29 | C29 | C30 | H301 | 174.4° | 67.6° |
| H29 | C29 | C30 | H302 | 66.0° | 49.5° |
| H29 | C29 | C34 | C33 | 55.6° | 169.5° |
| H29 | C29 | C34 | H341 | 64.5° | 49.1° |
| H29 | C29 | C34 | H342 | 175.2° | 67.9° |
| C31 | C30 | H301 | H302 | 120.4° | 117.7° |
| C30 | C31 | N32 | H311 | 120.0° | 119.2° |
| C30 | C31 | N32 | H312 | 118.0° | 122.1° |
| C30 | C31 | H311 | H312 | 118.2° | 120.8° |
| C30 | C31 | N32 | C33 | 33.2° | 60.1° |
| C30 | C31 | N32 | S44 | 148.4° | 165.4° |
| H301 | C30 | C31 | N32 | 68.9° | 178.6° |
| H301 | C30 | C31 | H311 | 51.0° | 61.9° |
| H301 | C30 | C31 | H312 | 173.1° | 57.3° |
| H302 | C30 | C31 | N32 | 171.5° | 64.8° |
| H302 | C30 | C31 | H311 | 68.5° | 54.7° |
| H302 | C30 | C31 | H312 | 53.5° | 173.8° |
| N32 | C31 | H311 | H312 | 118.1° | 119.6° |
| C31 | N32 | C33 | S44 | 178.4° | 134.5° |
| C31 | N32 | C33 | C34 | 29.0° | 59.6° |
| C31 | N32 | C33 | H331 | 91.0° | 62.4° |
| C31 | N32 | C33 | H332 | 146.4° | 179.0° |
| C31 | N32 | S44 | C47 | 93.6° | 60.0° |
| C31 | N32 | S44 | O46 | 149.7° | 172.7° |
| C31 | N32 | S44 | O45 | 23.2° | 52.7° |
| H311 | C31 | N32 | C33 | 153.2° | 179.3° |
| H311 | C31 | N32 | S44 | 28.4° | 46.2° |
| H312 | C31 | N32 | C33 | 84.9° | 62.0° |
| H312 | C31 | N32 | S44 | 93.5° | 72.5° |
| N32 | C33 | C34 | H331 | 120.0° | 121.3° |
| N32 | C33 | C34 | H332 | 117.5° | 119.6° |
| N32 | C33 | H331 | H332 | 117.7° | 119.3° |
| N32 | C33 | C34 | H341 | 163.4° | 65.7° |
| N32 | C33 | C34 | H342 | 76.3° | 177.8° |
| C33 | N32 | S44 | C47 | 84.8° | 73.1° |
| C33 | N32 | S44 | O46 | 31.9° | 39.6° |
| C33 | N32 | S44 | O45 | 158.4° | 174.2° |
| S44 | N32 | C33 | C34 | 152.6° | 165.9° |
| S44 | N32 | C33 | H331 | 87.3° | 72.1° |
| S44 | N32 | C33 | H332 | 35.2° | 46.5° |
| N32 | S44 | C47 | O46 | 116.2° | 113.2° |
| N32 | S44 | C47 | O45 | 117.2° | 113.2° |
| N32 | S44 | O46 | O45 | 120.6° | 127.4° |
| N32 | S44 | C47 | C48 | 175.4° | 180.0° |
| N32 | S44 | C47 | H471 | 55.4° | 58.8° |
| N32 | S44 | C47 | H472 | 65.6° | 58.8° |
| C34 | C33 | H331 | H332 | 117.7° | 119.4° |
| C33 | C34 | H341 | H342 | 119.6° | 118.0° |
| H331 | C33 | C34 | H341 | 43.4° | 173.0° |
| H331 | C33 | C34 | H342 | 163.7° | 56.5° |
| H332 | C33 | C34 | H341 | 79.2° | 54.0° |
| H332 | C33 | C34 | H342 | 41.2° | 62.6° |
| C47 | S44 | O46 | O45 | 120.4° | 125.9° |
| S44 | C47 | C48 | H471 | 120.0° | 118.9° |
| S44 | C47 | C48 | H472 | 119.0° | 118.8° |
| S44 | C47 | H471 | H472 | 119.1° | 117.3° |
| S44 | C47 | C48 | C55 | 90.6° | 90.0° |
| S44 | C47 | C48 | C51 | 89.5° | 90.0° |
| O46 | S44 | C47 | C48 | 68.4° | 66.8° |
| O46 | S44 | C47 | H471 | 171.6° | 172.0° |
| O46 | S44 | C47 | H472 | 50.6° | 54.4° |
| O45 | S44 | C47 | C48 | 58.2° | 66.8° |
| O45 | S44 | C47 | H471 | 61.8° | 54.4° |
| O45 | S44 | C47 | H472 | 177.2° | 172.0° |
| C48 | C47 | H471 | H472 | 119.1° | 124.2° |
| C47 | C48 | C55 | C51 | 179.9° | 180.0° |
| C47 | C48 | C51 | C52 | 179.9° | 180.0° |
| C47 | C48 | C51 | H51 | 0.1° | 0.0° |
| C47 | C48 | C55 | C54 | 179.9° | 180.0° |
| C47 | C48 | C55 | H55 | 0.1° | 0.0° |
| H471 | C47 | C48 | C55 | 149.4° | 151.2° |
| H471 | C47 | C48 | C51 | 30.5° | 28.8° |
| H472 | C47 | C48 | C55 | 28.5° | 28.9° |
| H472 | C47 | C48 | C51 | 151.5° | 151.2° |
| C55 | C48 | C51 | C52 | 0.0° | 0.0° |
| C55 | C48 | C51 | H51 | 180.0° | 180.0° |
| C48 | C55 | C54 | C53 | 0.0° | 0.0° |
| C48 | C55 | C54 | H55 | 180.0° | 179.9° |
| C48 | C55 | C54 | H54 | 180.0° | 180.0° |
| C48 | C51 | C52 | H51 | 180.0° | 180.0° |
| C48 | C51 | C52 | C53 | 0.0° | 0.0° |
| C48 | C51 | C52 | H52 | 180.0° | 180.0° |
| C51 | C48 | C55 | C54 | 0.0° | 0.0° |
| C51 | C48 | C55 | H55 | 180.0° | 180.0° |
| C51 | C52 | C53 | H52 | 180.0° | 180.0° |
| C51 | C52 | C53 | C54 | 0.1° | 0.0° |
| C51 | C52 | C53 | H53 | 179.9° | 180.0° |
| H51 | C51 | C52 | C53 | 180.0° | 180.0° |
| H51 | C51 | C52 | H52 | 0.0° | 0.0° |
| C52 | C53 | C54 | H53 | 180.0° | 180.0° |
| C52 | C53 | C54 | C55 | 0.1° | 0.0° |
| C52 | C53 | C54 | H54 | 179.9° | 180.0° |
| H52 | C52 | C53 | C54 | 180.0° | 180.0° |
| H52 | C52 | C53 | H53 | 0.1° | 0.0° |
| C53 | C54 | C55 | H54 | 180.0° | 180.0° |
| C53 | C54 | C55 | H55 | 180.0° | 180.0° |
| H53 | C53 | C54 | C55 | 179.9° | 180.0° |
| H53 | C53 | C54 | H54 | 0.1° | 0.0° |
| H54 | C54 | C55 | H55 | 0.0° | 0.1° |
