P82
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | S2 | doub | 1.51Å | 1.51Å | |
| S2 | O21 | doub | 1.51Å | 1.51Å | |
| S2 | N2 | sing | 1.57Å | 1.57Å | |
| S2 | C25 | sing | 1.80Å | 1.80Å | |
| C25 | C24 | sing | 1.50Å | 1.50Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | C2 | sing | 1.49Å | 1.49Å | |
| B9 | B3 | sing | 1.76Å | 1.76Å | |
| B9 | B4 | sing | 1.77Å | 1.77Å | |
| B9 | B8 | sing | 1.78Å | 1.78Å | |
| B10 | B4 | sing | 1.77Å | 1.77Å | |
| B10 | B11 | sing | 1.79Å | 1.79Å | |
| B10 | B5 | sing | 1.77Å | 1.77Å | |
| B3 | B4 | sing | 1.79Å | 1.79Å | |
| B3 | B8 | sing | 1.76Å | 1.76Å | |
| B3 | B12 | sing | 1.72Å | 1.72Å | |
| B3 | C1 | sing | 1.72Å | 1.72Å | |
| B4 | B5 | sing | 1.78Å | 1.78Å | |
| B4 | C1 | sing | 1.70Å | 1.70Å | |
| B8 | B12 | sing | 1.70Å | 1.70Å | |
| B8 | B7 | sing | 1.78Å | 1.78Å | |
| B12 | B7 | sing | 1.70Å | 1.70Å | |
| B12 | B6 | sing | 1.73Å | 1.73Å | |
| B12 | C1 | sing | 1.66Å | 1.66Å | |
| B7 | B11 | sing | 1.78Å | 1.78Å | |
| B7 | B6 | sing | 1.76Å | 1.76Å | |
| B11 | B6 | sing | 1.76Å | 1.76Å | |
| B11 | B5 | sing | 1.77Å | 1.77Å | |
| B6 | B5 | sing | 1.78Å | 1.78Å | |
| B6 | C1 | sing | 1.73Å | 1.73Å | |
| B5 | C1 | sing | 1.71Å | 1.71Å | |
| C1 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.49Å | 1.49Å | |
| C4 | C5 | sing | 1.50Å | 1.50Å | |
| C5 | S1 | sing | 1.79Å | 1.79Å | |
| S1 | O1 | doub | 1.44Å | 1.44Å | |
| S1 | O2 | doub | 1.48Å | 1.48Å | |
| S1 | N1 | sing | 1.57Å | 1.57Å | |
| B7 | C2 | sing | 1.77Å | 1.77Å | |
| N2 | H1 | sing | 1.00Å | 1.00Å | |
| N2 | H2 | sing | 1.00Å | 1.00Å | |
| C25 | H3 | sing | 1.10Å | 1.10Å | |
| C25 | H4 | sing | 1.10Å | 1.10Å | |
| C24 | H5 | sing | 1.10Å | 1.10Å | |
| C24 | H6 | sing | 1.10Å | 1.10Å | |
| C23 | H7 | sing | 1.10Å | 1.10Å | |
| C23 | H8 | sing | 1.10Å | 1.10Å | |
| C3 | H11 | sing | 1.10Å | 1.10Å | |
| C3 | H12 | sing | 1.10Å | 1.10Å | |
| C4 | H13 | sing | 1.10Å | 1.10Å | |
| C4 | H14 | sing | 1.10Å | 1.10Å | |
| C5 | H15 | sing | 1.10Å | 1.10Å | |
| C5 | H16 | sing | 1.10Å | 1.10Å | |
| N1 | H17 | sing | 1.00Å | 1.00Å | |
| N1 | H18 | sing | 1.00Å | 1.00Å | |
| B9 | B10 | sing | 1.80Å | 1.80Å | |
| C2 | B8 | sing | 1.77Å | 1.77Å | |
| C2 | B11 | sing | 1.77Å | 1.77Å | |
| C2 | B9 | sing | 1.78Å | 1.78Å | |
| C2 | B10 | sing | 1.77Å | 1.77Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | S2 | O21 | 111.3° | 111.3° |
| O22 | S2 | N2 | 109.4° | 109.4° |
| O22 | S2 | C25 | 106.1° | 106.1° |
| O21 | S2 | N2 | 115.4° | 115.4° |
| O21 | S2 | C25 | 105.9° | 105.9° |
| N2 | S2 | C25 | 108.2° | 108.2° |
| S2 | N2 | H1 | 109.5° | 109.5° |
| S2 | N2 | H2 | 109.5° | 109.4° |
| S2 | C25 | C24 | 108.3° | 108.3° |
| S2 | C25 | H3 | 109.8° | 109.8° |
| S2 | C25 | H4 | 109.8° | 109.7° |
| C25 | C24 | C23 | 106.8° | 106.8° |
| C24 | C25 | H3 | 109.8° | 109.8° |
| C24 | C25 | H4 | 109.7° | 109.8° |
| C25 | C24 | H5 | 110.1° | 110.1° |
| C25 | C24 | H6 | 110.1° | 110.1° |
| C24 | C23 | C2 | 114.0° | 114.0° |
| C23 | C24 | H5 | 110.1° | 110.1° |
| C23 | C24 | H6 | 110.1° | 110.1° |
| C24 | C23 | H7 | 108.3° | 108.3° |
| C24 | C23 | H8 | 108.3° | 108.3° |
| C23 | C2 | B7 | 116.8° | 116.8° |
| C2 | C23 | H7 | 108.3° | 108.3° |
| C2 | C23 | H8 | 108.3° | 108.3° |
| C23 | C2 | B8 | 121.8° | 121.8° |
| C23 | C2 | B11 | 117.4° | 117.4° |
| C23 | C2 | B9 | 126.0° | 126.0° |
| C23 | C2 | B10 | 123.2° | 123.2° |
| B3 | B9 | B4 | 60.9° | 60.9° |
| B3 | B9 | B8 | 59.7° | 59.7° |
| B9 | B3 | B4 | 60.0° | 60.0° |
| B9 | B3 | B8 | 60.9° | 60.9° |
| B9 | B3 | B12 | 105.6° | 105.6° |
| B9 | B3 | C1 | 104.8° | 104.8° |
| B3 | B9 | B10 | 108.1° | 108.1° |
| B3 | B9 | C2 | 107.1° | 107.1° |
| B4 | B9 | B8 | 107.9° | 107.9° |
| B9 | B4 | B10 | 61.2° | 61.2° |
| B9 | B4 | B3 | 59.2° | 59.2° |
| B9 | B4 | B5 | 108.9° | 108.9° |
| B9 | B4 | C1 | 105.0° | 105.0° |
| B4 | B9 | B10 | 59.3° | 59.3° |
| B4 | B9 | C2 | 106.5° | 106.5° |
| B9 | B8 | B3 | 59.4° | 59.4° |
| B9 | B8 | B12 | 105.1° | 105.1° |
| B9 | B8 | B7 | 108.3° | 108.3° |
| B8 | B9 | B10 | 107.5° | 107.5° |
| B9 | B8 | C2 | 60.1° | 60.1° |
| B8 | B9 | C2 | 59.7° | 59.7° |
| B4 | B10 | B11 | 107.8° | 107.8° |
| B4 | B10 | B5 | 60.5° | 60.5° |
| B10 | B4 | B3 | 108.2° | 108.2° |
| B10 | B4 | B5 | 60.0° | 60.0° |
| B10 | B4 | C1 | 105.2° | 105.2° |
| B4 | B10 | B9 | 59.5° | 59.5° |
| B4 | B10 | C2 | 107.1° | 107.1° |
| B11 | B10 | B5 | 59.6° | 59.6° |
| B10 | B11 | B7 | 107.8° | 107.8° |
| B10 | B11 | B6 | 108.3° | 108.3° |
| B10 | B11 | B5 | 59.7° | 59.7° |
| B11 | B10 | B9 | 107.8° | 107.8° |
| B10 | B11 | C2 | 59.6° | 59.6° |
| B11 | B10 | C2 | 59.7° | 59.7° |
| B10 | B5 | B4 | 59.6° | 59.6° |
| B10 | B5 | B11 | 60.7° | 60.7° |
| B10 | B5 | B6 | 108.0° | 108.0° |
| B10 | B5 | C1 | 104.4° | 104.4° |
| B5 | B10 | B9 | 108.0° | 108.0° |
| B5 | B10 | C2 | 107.2° | 107.2° |
| B4 | B3 | B8 | 108.2° | 108.2° |
| B4 | B3 | B12 | 104.5° | 104.5° |
| B4 | B3 | C1 | 58.0° | 58.0° |
| B3 | B4 | B5 | 108.3° | 108.3° |
| B3 | B4 | C1 | 59.1° | 59.1° |
| B8 | B3 | B12 | 58.6° | 58.6° |
| B8 | B3 | C1 | 104.9° | 104.9° |
| B3 | B8 | B12 | 59.5° | 59.5° |
| B3 | B8 | B7 | 108.2° | 108.2° |
| B3 | B8 | C2 | 107.2° | 107.2° |
| B12 | B3 | C1 | 57.5° | 57.5° |
| B3 | B12 | B8 | 61.9° | 61.9° |
| B3 | B12 | B7 | 113.9° | 113.9° |
| B3 | B12 | B6 | 114.3° | 114.3° |
| B3 | B12 | C1 | 61.4° | 61.4° |
| B3 | C1 | B4 | 62.8° | 62.8° |
| B3 | C1 | B12 | 61.2° | 61.2° |
| B3 | C1 | B6 | 113.7° | 113.7° |
| B3 | C1 | B5 | 114.6° | 114.6° |
| B3 | C1 | C3 | 120.6° | 120.6° |
| B5 | B4 | C1 | 58.8° | 58.8° |
| B4 | B5 | B11 | 108.0° | 108.0° |
| B4 | B5 | B6 | 108.0° | 108.0° |
| B4 | B5 | C1 | 58.3° | 58.3° |
| B4 | C1 | B12 | 111.3° | 111.3° |
| B4 | C1 | B6 | 114.1° | 114.1° |
| B4 | C1 | B5 | 62.9° | 62.9° |
| B4 | C1 | C3 | 111.2° | 111.2° |
| B12 | B8 | B7 | 58.4° | 58.4° |
| B8 | B12 | B7 | 62.9° | 62.9° |
| B8 | B12 | B6 | 114.0° | 114.0° |
| B8 | B12 | C1 | 110.6° | 110.6° |
| B12 | B8 | C2 | 104.2° | 104.2° |
| B8 | B7 | B12 | 58.6° | 58.6° |
| B8 | B7 | B11 | 108.5° | 108.5° |
| B8 | B7 | B6 | 108.8° | 108.8° |
| B8 | B7 | C2 | 60.0° | 60.0° |
| B7 | B8 | C2 | 59.8° | 59.8° |
| B7 | B12 | B6 | 61.9° | 61.9° |
| B7 | B12 | C1 | 110.7° | 110.7° |
| B12 | B7 | B11 | 105.4° | 105.4° |
| B12 | B7 | B6 | 59.8° | 59.8° |
| B12 | B7 | C2 | 104.5° | 104.5° |
| B6 | B12 | C1 | 61.7° | 61.7° |
| B12 | B6 | B7 | 58.3° | 58.3° |
| B12 | B6 | B11 | 105.2° | 105.2° |
| B12 | B6 | B5 | 104.8° | 104.8° |
| B12 | B6 | C1 | 57.2° | 57.2° |
| B12 | C1 | B6 | 61.2° | 61.2° |
| B12 | C1 | B5 | 111.1° | 111.1° |
| B12 | C1 | C3 | 130.0° | 130.0° |
| B11 | B7 | B6 | 59.5° | 59.5° |
| B7 | B11 | B6 | 59.8° | 59.8° |
| B7 | B11 | B5 | 108.1° | 108.1° |
| B11 | B7 | C2 | 60.0° | 60.0° |
| B7 | B11 | C2 | 59.8° | 59.8° |
| B7 | B6 | B11 | 60.7° | 60.7° |
| B7 | B6 | B5 | 108.3° | 108.3° |
| B7 | B6 | C1 | 104.3° | 104.3° |
| B6 | B7 | C2 | 107.5° | 107.5° |
| B6 | B11 | B5 | 60.6° | 60.6° |
| B11 | B6 | B5 | 60.1° | 60.1° |
| B11 | B6 | C1 | 104.6° | 104.6° |
| B6 | B11 | C2 | 107.6° | 107.6° |
| B11 | B5 | B6 | 59.2° | 59.2° |
| B11 | B5 | C1 | 104.7° | 104.7° |
| B5 | B11 | C2 | 107.2° | 107.2° |
| B5 | B6 | C1 | 58.3° | 58.3° |
| B6 | B5 | C1 | 59.5° | 59.5° |
| B6 | C1 | B5 | 62.2° | 62.2° |
| B6 | C1 | C3 | 120.4° | 120.4° |
| B5 | C1 | C3 | 110.9° | 110.9° |
| C1 | C3 | C4 | 120.9° | 120.9° |
| C1 | C3 | H11 | 106.5° | 106.5° |
| C1 | C3 | H12 | 106.5° | 106.5° |
| C3 | C4 | C5 | 115.9° | 115.9° |
| C4 | C3 | H11 | 106.5° | 106.5° |
| C4 | C3 | H12 | 106.5° | 106.6° |
| C3 | C4 | H13 | 107.8° | 107.8° |
| C3 | C4 | H14 | 107.8° | 107.8° |
| C4 | C5 | S1 | 109.6° | 109.6° |
| C5 | C4 | H13 | 107.8° | 107.8° |
| C5 | C4 | H14 | 107.8° | 107.8° |
| C4 | C5 | H15 | 109.4° | 109.4° |
| C4 | C5 | H16 | 109.4° | 109.4° |
| C5 | S1 | O1 | 106.0° | 106.0° |
| C5 | S1 | O2 | 106.6° | 106.6° |
| C5 | S1 | N1 | 106.8° | 106.8° |
| S1 | C5 | H15 | 109.4° | 109.4° |
| S1 | C5 | H16 | 109.4° | 109.4° |
| O1 | S1 | O2 | 114.9° | 114.9° |
| O1 | S1 | N1 | 111.6° | 111.6° |
| O2 | S1 | N1 | 110.4° | 110.4° |
| S1 | N1 | H17 | 109.5° | 109.5° |
| S1 | N1 | H18 | 109.5° | 109.5° |
| B7 | C2 | B8 | 60.2° | 60.2° |
| B7 | C2 | B11 | 60.1° | 60.1° |
| B7 | C2 | B9 | 108.7° | 108.7° |
| B7 | C2 | B10 | 109.0° | 109.0° |
| H1 | N2 | H2 | 109.5° | 109.5° |
| H3 | C25 | H4 | 109.5° | 109.4° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H7 | C23 | H8 | 109.4° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.4° |
| H13 | C4 | H14 | 109.5° | 109.5° |
| H15 | C5 | H16 | 109.5° | 109.5° |
| H17 | N1 | H18 | 109.5° | 109.5° |
| B10 | B9 | C2 | 59.3° | 59.3° |
| B9 | B10 | C2 | 59.8° | 59.8° |
| B8 | C2 | B11 | 108.8° | 108.8° |
| B8 | C2 | B9 | 60.2° | 60.2° |
| B8 | C2 | B10 | 109.2° | 109.2° |
| B11 | C2 | B9 | 109.5° | 109.5° |
| B11 | C2 | B10 | 60.7° | 60.7° |
| B9 | C2 | B10 | 60.9° | 60.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | S2 | O21 | N2 | 125.5° | 125.5° |
| O22 | S2 | O21 | C25 | 114.9° | 114.9° |
| O22 | S2 | N2 | C25 | 115.2° | 115.2° |
| O22 | S2 | C25 | C24 | 62.2° | 62.2° |
| O22 | S2 | N2 | H1 | 180.0° | 180.0° |
| O22 | S2 | N2 | H2 | 60.0° | 60.0° |
| O22 | S2 | C25 | H3 | 177.9° | 177.9° |
| O22 | S2 | C25 | H4 | 57.6° | 57.6° |
| O21 | S2 | N2 | C25 | 118.3° | 118.3° |
| O21 | S2 | C25 | C24 | 56.2° | 56.2° |
| O21 | S2 | N2 | H1 | 53.6° | 53.6° |
| O21 | S2 | N2 | H2 | 66.5° | 66.5° |
| O21 | S2 | C25 | H3 | 63.7° | 63.7° |
| O21 | S2 | C25 | H4 | 176.0° | 176.0° |
| N2 | S2 | C25 | C24 | 179.6° | 179.6° |
| S2 | N2 | H1 | H2 | 120.0° | 120.0° |
| N2 | S2 | C25 | H3 | 60.6° | 60.6° |
| N2 | S2 | C25 | H4 | 59.8° | 59.7° |
| S2 | C25 | C24 | H3 | 119.8° | 119.8° |
| S2 | C25 | C24 | H4 | 119.8° | 119.8° |
| S2 | C25 | C24 | C23 | 173.3° | 173.3° |
| C25 | S2 | N2 | H1 | 64.8° | 64.8° |
| C25 | S2 | N2 | H2 | 175.2° | 175.2° |
| S2 | C25 | H3 | H4 | 120.6° | 120.5° |
| S2 | C25 | C24 | H5 | 53.7° | 53.7° |
| S2 | C25 | C24 | H6 | 67.1° | 67.1° |
| C25 | C24 | C23 | H5 | 119.6° | 119.6° |
| C25 | C24 | C23 | H6 | 119.6° | 119.6° |
| C25 | C24 | C23 | C2 | 179.8° | 179.8° |
| C24 | C25 | H3 | H4 | 120.5° | 120.6° |
| C25 | C24 | H5 | H6 | 121.2° | 121.2° |
| C25 | C24 | C23 | H7 | 59.5° | 59.5° |
| C25 | C24 | C23 | H8 | 59.1° | 59.1° |
| C24 | C23 | C2 | H7 | 120.7° | 120.7° |
| C24 | C23 | C2 | H8 | 120.7° | 120.7° |
| C24 | C23 | C2 | B7 | 153.7° | 153.7° |
| C23 | C24 | C25 | H3 | 66.9° | 66.9° |
| C23 | C24 | C25 | H4 | 53.4° | 53.5° |
| C23 | C24 | H5 | H6 | 121.2° | 121.2° |
| C24 | C23 | H7 | H8 | 117.9° | 117.9° |
| C24 | C23 | C2 | B8 | 83.7° | 83.7° |
| C24 | C23 | C2 | B11 | 137.8° | 137.8° |
| C24 | C23 | C2 | B9 | 9.4° | 9.4° |
| C24 | C23 | C2 | B10 | 66.4° | 66.4° |
| C23 | C2 | B9 | B3 | 147.1° | 147.1° |
| C23 | C2 | B9 | B4 | 149.0° | 149.0° |
| C23 | C2 | B8 | B9 | 116.3° | 116.3° |
| C23 | C2 | B10 | B4 | 153.7° | 153.7° |
| C23 | C2 | B11 | B10 | 114.6° | 114.6° |
| C23 | C2 | B10 | B5 | 142.7° | 142.7° |
| C23 | C2 | B8 | B3 | 153.8° | 153.8° |
| C23 | C2 | B8 | B12 | 144.3° | 144.3° |
| C23 | C2 | B7 | B8 | 113.0° | 113.0° |
| C23 | C2 | B7 | B12 | 152.6° | 152.6° |
| C23 | C2 | B11 | B7 | 106.7° | 106.7° |
| C23 | C2 | B7 | B6 | 145.0° | 145.0° |
| C23 | C2 | B11 | B6 | 144.2° | 144.2° |
| C23 | C2 | B11 | B5 | 152.0° | 152.0° |
| C23 | C2 | B7 | B9 | 150.1° | 150.1° |
| C23 | C2 | B7 | B10 | 145.2° | 145.2° |
| C2 | C23 | C24 | H5 | 60.2° | 60.2° |
| C2 | C23 | C24 | H6 | 60.6° | 60.6° |
| C2 | C23 | H7 | H8 | 117.9° | 117.9° |
| C23 | C2 | B10 | B9 | 116.1° | 116.1° |
| C23 | C2 | B8 | B11 | 141.6° | 141.6° |
| C23 | C2 | B8 | B10 | 153.8° | 153.8° |
| C23 | C2 | B11 | B9 | 152.4° | 152.4° |
| B3 | B9 | B4 | B8 | 38.0° | 38.0° |
| B3 | B9 | B4 | B10 | 138.1° | 138.1° |
| B3 | B9 | B4 | C2 | 100.7° | 100.7° |
| B3 | B9 | B8 | B10 | 101.1° | 101.1° |
| B3 | B9 | B8 | C2 | 137.5° | 137.5° |
| B3 | B9 | B10 | B11 | 62.7° | 62.7° |
| B3 | B9 | B10 | B5 | 0.2° | 0.2° |
| B9 | B3 | B4 | B12 | 99.9° | 99.9° |
| B9 | B3 | B4 | C1 | 135.1° | 135.1° |
| B9 | B3 | B8 | B12 | 134.4° | 134.4° |
| B9 | B3 | B8 | C1 | 98.9° | 98.9° |
| B9 | B3 | B12 | C1 | 97.9° | 97.9° |
| B3 | B9 | B4 | B5 | 100.5° | 100.5° |
| B3 | B9 | B8 | B7 | 100.7° | 100.7° |
| B9 | B3 | B12 | B7 | 3.6° | 3.6° |
| B9 | B3 | B12 | B6 | 65.0° | 65.0° |
| B9 | B3 | C1 | B6 | 66.8° | 66.8° |
| B9 | B3 | C1 | B5 | 2.2° | 2.2° |
| B9 | B3 | C1 | C3 | 138.9° | 138.9° |
| B3 | B9 | C2 | B7 | 0.6° | 0.6° |
| B3 | B9 | B10 | C2 | 99.6° | 99.6° |
| B3 | B9 | C2 | B11 | 63.5° | 63.5° |
| B4 | B9 | B8 | B10 | 62.6° | 62.6° |
| B4 | B9 | B8 | C2 | 99.0° | 99.0° |
| B9 | B4 | B10 | B5 | 138.2° | 138.2° |
| B9 | B4 | B10 | C1 | 99.1° | 99.1° |
| B4 | B9 | B10 | B11 | 100.6° | 100.6° |
| B9 | B4 | B5 | C1 | 96.5° | 96.5° |
| B4 | B9 | B8 | B12 | 1.1° | 1.1° |
| B4 | B9 | B8 | B7 | 62.2° | 62.2° |
| B9 | B4 | C1 | B12 | 0.3° | 0.3° |
| B9 | B4 | B5 | B11 | 0.0° | 0.0° |
| B9 | B4 | B5 | B6 | 62.6° | 62.6° |
| B9 | B4 | C1 | B6 | 66.6° | 66.6° |
| B9 | B4 | C1 | C3 | 153.3° | 153.3° |
| B4 | B9 | C2 | B7 | 64.4° | 64.4° |
| B4 | B9 | B10 | C2 | 137.4° | 137.4° |
| B4 | B9 | C2 | B11 | 0.4° | 0.4° |
| B8 | B9 | B10 | B11 | 0.3° | 0.3° |
| B8 | B9 | B10 | B5 | 63.2° | 63.2° |
| B8 | B9 | B4 | B5 | 62.5° | 62.5° |
| B8 | B9 | B4 | C1 | 0.8° | 0.8° |
| B9 | B8 | B12 | B7 | 102.5° | 102.5° |
| B9 | B8 | B12 | C2 | 62.3° | 62.3° |
| B9 | B8 | B7 | C2 | 36.9° | 36.9° |
| B9 | B8 | B12 | B6 | 66.3° | 66.3° |
| B9 | B8 | B12 | C1 | 0.9° | 0.9° |
| B9 | B8 | B7 | B11 | 0.3° | 0.3° |
| B9 | B8 | B7 | B6 | 62.9° | 62.9° |
| B8 | B9 | B10 | C2 | 36.6° | 36.6° |
| B8 | B9 | C2 | B11 | 101.1° | 101.1° |
| B4 | B10 | B11 | B5 | 38.0° | 38.0° |
| B4 | B10 | B11 | C2 | 99.8° | 99.8° |
| B4 | B10 | B5 | C2 | 100.3° | 100.3° |
| B10 | B4 | B3 | B5 | 63.5° | 63.5° |
| B10 | B4 | B3 | C1 | 97.1° | 97.1° |
| B10 | B4 | B3 | B8 | 0.6° | 0.6° |
| B10 | B4 | B3 | B12 | 61.8° | 61.8° |
| B10 | B4 | B5 | C1 | 134.7° | 134.7° |
| B10 | B4 | C1 | B12 | 63.9° | 63.9° |
| B4 | B10 | B11 | B7 | 63.0° | 63.0° |
| B4 | B10 | B11 | B6 | 0.3° | 0.3° |
| B10 | B4 | B5 | B6 | 100.7° | 100.7° |
| B10 | B4 | C1 | B6 | 3.0° | 3.0° |
| B10 | B4 | C1 | C3 | 143.1° | 143.1° |
| B4 | B10 | C2 | B7 | 63.8° | 63.8° |
| B4 | B10 | C2 | B8 | 0.3° | 0.3° |
| B11 | B10 | B5 | B9 | 100.5° | 100.5° |
| B11 | B10 | B5 | C2 | 37.4° | 37.4° |
| B11 | B10 | B4 | B3 | 63.4° | 63.4° |
| B11 | B10 | B4 | C1 | 1.5° | 1.5° |
| B10 | B11 | B7 | B8 | 0.1° | 0.1° |
| B10 | B11 | B7 | B12 | 61.4° | 61.4° |
| B10 | B11 | B6 | B12 | 61.4° | 61.4° |
| B10 | B11 | B7 | B6 | 101.2° | 101.2° |
| B10 | B11 | B7 | B5 | 63.1° | 63.1° |
| B10 | B11 | B7 | C2 | 36.7° | 36.7° |
| B10 | B11 | B6 | B5 | 37.2° | 37.2° |
| B10 | B11 | B6 | C2 | 63.0° | 63.0° |
| B10 | B11 | B6 | C1 | 2.0° | 2.0° |
| B11 | B10 | B5 | C1 | 99.0° | 99.0° |
| B11 | B10 | B9 | C2 | 36.9° | 36.9° |
| B11 | B10 | C2 | B8 | 101.3° | 101.3° |
| B10 | B5 | C1 | B3 | 2.3° | 2.3° |
| B10 | B5 | B6 | B12 | 61.6° | 61.6° |
| B10 | B5 | C1 | B12 | 64.6° | 64.6° |
| B10 | B5 | B6 | B7 | 0.6° | 0.6° |
| B10 | B5 | B6 | C1 | 96.4° | 96.4° |
| B10 | B5 | C1 | C3 | 143.1° | 143.1° |
| B5 | B10 | C2 | B7 | 0.2° | 0.2° |
| B5 | B10 | B9 | C2 | 99.8° | 99.8° |
| B5 | B10 | C2 | B8 | 63.9° | 63.9° |
| B4 | B3 | B8 | B12 | 96.2° | 96.2° |
| B4 | B3 | B8 | C1 | 60.7° | 60.7° |
| B4 | B3 | B12 | C1 | 35.5° | 35.5° |
| B3 | B4 | B5 | C1 | 33.7° | 33.7° |
| B4 | B3 | B8 | B7 | 62.8° | 62.8° |
| B4 | B3 | B12 | B7 | 65.9° | 65.9° |
| B4 | B3 | B12 | B6 | 2.7° | 2.7° |
| B3 | B4 | B5 | B11 | 62.8° | 62.8° |
| B3 | B4 | B5 | B6 | 0.2° | 0.2° |
| B3 | B4 | C1 | B6 | 105.4° | 105.4° |
| B4 | B3 | C1 | C3 | 99.7° | 99.7° |
| B4 | B3 | B8 | C2 | 0.4° | 0.4° |
| B3 | B4 | B10 | C2 | 0.6° | 0.6° |
| B8 | B3 | B12 | C1 | 138.3° | 138.3° |
| B8 | B3 | B4 | B5 | 62.9° | 62.9° |
| B3 | B8 | B12 | B7 | 142.0° | 142.0° |
| B3 | B8 | B12 | C2 | 101.9° | 101.9° |
| B3 | B8 | B7 | C2 | 99.8° | 99.8° |
| B8 | B3 | B12 | B6 | 105.4° | 105.4° |
| B3 | B8 | B7 | B11 | 63.2° | 63.2° |
| B3 | B8 | B7 | B6 | 0.0° | 0.0° |
| B8 | B3 | C1 | B6 | 3.5° | 3.5° |
| B8 | B3 | C1 | B5 | 65.4° | 65.4° |
| B8 | B3 | C1 | C3 | 157.9° | 157.9° |
| B3 | B8 | C2 | B11 | 64.7° | 64.7° |
| B3 | B8 | C2 | B10 | 0.0° | 0.0° |
| B12 | B3 | B4 | B5 | 1.7° | 1.7° |
| B3 | B12 | B7 | B6 | 105.9° | 105.9° |
| B3 | B12 | B7 | C1 | 66.8° | 66.8° |
| B3 | B12 | B6 | C1 | 32.7° | 32.7° |
| B3 | B12 | B7 | B11 | 66.2° | 66.2° |
| B3 | B12 | B6 | B11 | 65.1° | 65.1° |
| B3 | B12 | B6 | B5 | 2.6° | 2.6° |
| B3 | B12 | C1 | B5 | 107.3° | 107.3° |
| B12 | B3 | C1 | C3 | 121.9° | 121.9° |
| B3 | B12 | B7 | C2 | 3.9° | 3.9° |
| B12 | B3 | B9 | B10 | 60.9° | 60.9° |
| B12 | B3 | B9 | C2 | 1.7° | 1.7° |
| C1 | B3 | B8 | B7 | 2.0° | 2.0° |
| B3 | C1 | B6 | B7 | 3.5° | 3.5° |
| B3 | C1 | B6 | B11 | 66.4° | 66.4° |
| B3 | C1 | B5 | B11 | 65.3° | 65.3° |
| B3 | C1 | B5 | B6 | 105.0° | 105.0° |
| B3 | C1 | B6 | C3 | 154.4° | 154.4° |
| B3 | C1 | B5 | C3 | 140.8° | 140.8° |
| B3 | C1 | C3 | C4 | 74.7° | 74.7° |
| B3 | C1 | C3 | H11 | 163.7° | 163.7° |
| B3 | C1 | C3 | H12 | 46.9° | 47.0° |
| C1 | B3 | B9 | B10 | 1.1° | 1.1° |
| C1 | B3 | B8 | C2 | 61.1° | 61.1° |
| C1 | B3 | B9 | C2 | 61.5° | 61.5° |
| B4 | B5 | B6 | B12 | 1.3° | 1.3° |
| B4 | B5 | C1 | B12 | 103.9° | 103.9° |
| B4 | B5 | B11 | B7 | 62.9° | 62.9° |
| B4 | B5 | B6 | B7 | 62.4° | 62.4° |
| B4 | B5 | B6 | B11 | 100.6° | 100.6° |
| B4 | B5 | B11 | C1 | 60.9° | 60.9° |
| B4 | B5 | B6 | C1 | 33.5° | 33.5° |
| B5 | B4 | C1 | C3 | 103.4° | 103.4° |
| B4 | B5 | B11 | C2 | 0.2° | 0.2° |
| B5 | B4 | B9 | C2 | 0.2° | 0.2° |
| B4 | C1 | B12 | B8 | 0.4° | 0.4° |
| B4 | C1 | B12 | B7 | 67.4° | 67.4° |
| B4 | C1 | B6 | B12 | 102.0° | 102.0° |
| B4 | C1 | B12 | C3 | 146.5° | 146.5° |
| B4 | C1 | B6 | B7 | 66.0° | 66.0° |
| B4 | C1 | B6 | B11 | 3.2° | 3.2° |
| B4 | C1 | B6 | C3 | 136.1° | 136.1° |
| B4 | C1 | C3 | C4 | 144.8° | 144.8° |
| B4 | C1 | C3 | H11 | 93.6° | 93.6° |
| B4 | C1 | C3 | H12 | 23.2° | 23.2° |
| C1 | B4 | B9 | C2 | 61.9° | 61.9° |
| C1 | B4 | B10 | C2 | 61.4° | 61.4° |
| B12 | B8 | B7 | C2 | 133.7° | 133.7° |
| B8 | B12 | B7 | B6 | 142.3° | 142.3° |
| B8 | B12 | B7 | C1 | 103.3° | 103.3° |
| B8 | B12 | B6 | C1 | 101.4° | 101.4° |
| B12 | B8 | B7 | B11 | 97.1° | 97.1° |
| B8 | B12 | B6 | B11 | 3.6° | 3.6° |
| B8 | B12 | B6 | B5 | 66.1° | 66.1° |
| B8 | B12 | C1 | B5 | 68.5° | 68.5° |
| B8 | B12 | C1 | C3 | 146.1° | 146.1° |
| B12 | B8 | B9 | B10 | 61.5° | 61.5° |
| B12 | B8 | C2 | B11 | 2.7° | 2.7° |
| B12 | B8 | C2 | B10 | 61.9° | 61.9° |
| B8 | B7 | B11 | B6 | 101.3° | 101.3° |
| B8 | B7 | B11 | C2 | 36.6° | 36.6° |
| B8 | B7 | B6 | C2 | 63.4° | 63.4° |
| B8 | B7 | B11 | B5 | 63.2° | 63.2° |
| B8 | B7 | B6 | B5 | 62.9° | 62.9° |
| B8 | B7 | B6 | C1 | 2.0° | 2.0° |
| B7 | B8 | B9 | B10 | 0.4° | 0.4° |
| B7 | B8 | C2 | B10 | 101.4° | 101.4° |
| B7 | B12 | B6 | C1 | 138.0° | 138.0° |
| B12 | B7 | B11 | B6 | 39.8° | 39.8° |
| B12 | B7 | B11 | C2 | 98.1° | 98.1° |
| B12 | B7 | B6 | C2 | 96.9° | 96.9° |
| B12 | B7 | B11 | B5 | 1.7° | 1.7° |
| B7 | B12 | B6 | B5 | 102.7° | 102.7° |
| B7 | B12 | C1 | B5 | 0.6° | 0.6° |
| B7 | B12 | C1 | C3 | 146.1° | 146.1° |
| B12 | B7 | C2 | B9 | 2.6° | 2.6° |
| B12 | B7 | C2 | B10 | 62.1° | 62.1° |
| B12 | B6 | B11 | B5 | 98.6° | 98.6° |
| B12 | B6 | B11 | C1 | 59.4° | 59.4° |
| B12 | B6 | B5 | C1 | 34.8° | 34.8° |
| B6 | B12 | C1 | C3 | 107.0° | 107.0° |
| B6 | B12 | B8 | C2 | 3.9° | 3.9° |
| B12 | B6 | B11 | C2 | 1.6° | 1.6° |
| C1 | B12 | B7 | B11 | 0.7° | 0.7° |
| B12 | C1 | B5 | B11 | 1.6° | 1.6° |
| B12 | C1 | B5 | C3 | 152.3° | 152.3° |
| B12 | C1 | C3 | C4 | 1.7° | 1.7° |
| C1 | B12 | B7 | C2 | 63.0° | 63.0° |
| B12 | C1 | C3 | H11 | 119.9° | 119.9° |
| B12 | C1 | C3 | H12 | 123.3° | 123.4° |
| C1 | B12 | B8 | C2 | 63.2° | 63.2° |
| B11 | B7 | B6 | C2 | 37.5° | 37.5° |
| B7 | B11 | B6 | B5 | 137.6° | 137.6° |
| B7 | B11 | B5 | C2 | 63.1° | 63.1° |
| B11 | B7 | B6 | C1 | 98.9° | 98.9° |
| B7 | B11 | B5 | C1 | 2.0° | 2.0° |
| B7 | B11 | B10 | B9 | 0.1° | 0.1° |
| B11 | B7 | C2 | B9 | 102.2° | 102.2° |
| B7 | B6 | B5 | C1 | 95.8° | 95.8° |
| B7 | B6 | C1 | C3 | 157.9° | 157.9° |
| B6 | B7 | C2 | B9 | 64.9° | 64.9° |
| B6 | B7 | C2 | B10 | 0.2° | 0.2° |
| B6 | B11 | B5 | C2 | 100.9° | 100.9° |
| B11 | B6 | B5 | C1 | 134.1° | 134.1° |
| B11 | B6 | C1 | C3 | 139.2° | 139.2° |
| B6 | B11 | B10 | B9 | 63.2° | 63.2° |
| B6 | B11 | C2 | B8 | 0.7° | 0.7° |
| B6 | B11 | C2 | B9 | 63.5° | 63.5° |
| B11 | B5 | C1 | C3 | 154.0° | 154.0° |
| B5 | B11 | C2 | B8 | 64.6° | 64.6° |
| B5 | B11 | C2 | B9 | 0.4° | 0.4° |
| B5 | B6 | C1 | C3 | 99.1° | 99.1° |
| B5 | B6 | B7 | C2 | 0.5° | 0.5° |
| B6 | B5 | B10 | B9 | 63.5° | 63.5° |
| B6 | B5 | B10 | C2 | 0.5° | 0.5° |
| B6 | C1 | C3 | C4 | 78.0° | 78.0° |
| C1 | B6 | B7 | C2 | 61.4° | 61.4° |
| B6 | C1 | C3 | H11 | 43.6° | 43.6° |
| B6 | C1 | C3 | H12 | 160.4° | 160.4° |
| C1 | B6 | B11 | C2 | 61.0° | 61.0° |
| B5 | C1 | C3 | C4 | 147.2° | 147.2° |
| B5 | C1 | C3 | H11 | 25.6° | 25.6° |
| B5 | C1 | C3 | H12 | 91.2° | 91.1° |
| C1 | B5 | B10 | B9 | 1.5° | 1.5° |
| C1 | B5 | B11 | C2 | 61.1° | 61.1° |
| C1 | B5 | B10 | C2 | 61.6° | 61.6° |
| C1 | C3 | C4 | H11 | 121.6° | 121.6° |
| C1 | C3 | C4 | H12 | 121.6° | 121.6° |
| C1 | C3 | C4 | C5 | 66.7° | 66.7° |
| C1 | C3 | H11 | H12 | 114.8° | 114.8° |
| C1 | C3 | C4 | H13 | 54.2° | 54.2° |
| C1 | C3 | C4 | H14 | 172.4° | 172.4° |
| C3 | C4 | C5 | H13 | 120.9° | 120.9° |
| C3 | C4 | C5 | H14 | 120.9° | 120.9° |
| C3 | C4 | C5 | S1 | 177.8° | 177.8° |
| C4 | C3 | H11 | H12 | 114.9° | 114.9° |
| C3 | C4 | H13 | H14 | 117.1° | 117.1° |
| C3 | C4 | C5 | H15 | 57.8° | 57.8° |
| C3 | C4 | C5 | H16 | 62.2° | 62.2° |
| C4 | C5 | S1 | H15 | 120.0° | 120.0° |
| C4 | C5 | S1 | H16 | 120.0° | 120.0° |
| C4 | C5 | S1 | O1 | 168.1° | 168.1° |
| C4 | C5 | S1 | O2 | 45.2° | 45.2° |
| C4 | C5 | S1 | N1 | 72.8° | 72.8° |
| C5 | C4 | C3 | H11 | 171.7° | 171.7° |
| C5 | C4 | C3 | H12 | 54.8° | 54.9° |
| C5 | C4 | H13 | H14 | 117.1° | 117.1° |
| C4 | C5 | H15 | H16 | 119.9° | 119.9° |
| C5 | S1 | O1 | O2 | 117.4° | 117.4° |
| C5 | S1 | O1 | N1 | 115.9° | 115.9° |
| C5 | S1 | O2 | N1 | 115.7° | 115.7° |
| S1 | C5 | C4 | H13 | 61.3° | 61.3° |
| S1 | C5 | C4 | H14 | 56.9° | 56.9° |
| S1 | C5 | H15 | H16 | 120.0° | 120.0° |
| C5 | S1 | N1 | H17 | 180.0° | 180.0° |
| C5 | S1 | N1 | H18 | 60.0° | 60.0° |
| O1 | S1 | O2 | N1 | 127.3° | 127.3° |
| O1 | S1 | C5 | H15 | 71.9° | 71.9° |
| O1 | S1 | C5 | H16 | 48.1° | 48.1° |
| O1 | S1 | N1 | H17 | 64.6° | 64.6° |
| O1 | S1 | N1 | H18 | 175.4° | 175.4° |
| O2 | S1 | C5 | H15 | 165.2° | 165.2° |
| O2 | S1 | C5 | H16 | 74.8° | 74.8° |
| O2 | S1 | N1 | H17 | 64.5° | 64.5° |
| O2 | S1 | N1 | H18 | 55.5° | 55.5° |
| N1 | S1 | C5 | H15 | 47.2° | 47.2° |
| N1 | S1 | C5 | H16 | 167.2° | 167.2° |
| S1 | N1 | H17 | H18 | 120.0° | 120.0° |
| B7 | C2 | C23 | H7 | 33.0° | 33.0° |
| B7 | C2 | C23 | H8 | 85.6° | 85.6° |
| B7 | C2 | B10 | B9 | 101.4° | 101.4° |
| H3 | C25 | C24 | H5 | 173.5° | 173.5° |
| H3 | C25 | C24 | H6 | 52.7° | 52.7° |
| H4 | C25 | C24 | H5 | 66.1° | 66.1° |
| H4 | C25 | C24 | H6 | 173.0° | 173.0° |
| H5 | C24 | C23 | H7 | 179.1° | 179.1° |
| H5 | C24 | C23 | H8 | 60.4° | 60.4° |
| H6 | C24 | C23 | H7 | 60.1° | 60.1° |
| H6 | C24 | C23 | H8 | 178.7° | 178.7° |
| H7 | C23 | C2 | B8 | 37.0° | 37.0° |
| H7 | C23 | C2 | B11 | 101.5° | 101.5° |
| H7 | C23 | C2 | B9 | 111.2° | 111.2° |
| H7 | C23 | C2 | B10 | 172.9° | 172.9° |
| H8 | C23 | C2 | B8 | 155.6° | 155.6° |
| H8 | C23 | C2 | B11 | 17.1° | 17.1° |
| H8 | C23 | C2 | B9 | 130.1° | 130.1° |
| H8 | C23 | C2 | B10 | 54.3° | 54.3° |
| H11 | C3 | C4 | H13 | 67.4° | 67.4° |
| H11 | C3 | C4 | H14 | 50.7° | 50.7° |
| H12 | C3 | C4 | H13 | 175.8° | 175.8° |
| H12 | C3 | C4 | H14 | 66.1° | 66.0° |
| H13 | C4 | C5 | H15 | 178.7° | 178.7° |
| H13 | C4 | C5 | H16 | 58.7° | 58.7° |
| H14 | C4 | C5 | H15 | 63.1° | 63.1° |
| H14 | C4 | C5 | H16 | 176.9° | 176.9° |
