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| Our molecule B | |||||
|---|---|---|---|---|---|
| Torsion angle | Our molecule A | Conformer A | Conformer B | 3dxg molecule A | 3dxg molecule B |
| α1 | 108.2 (O3P) | 56.8 (O2P) | 99.7 (O2P) | 49.5 (O1P) | 65.7 (O1P) |
| α2 | −131.8 (O2P) | 180.0 (O1P) | −140.6 (O1P) | 170.3 (O3P) | −173.3 (O3P) |
| α3 | −12.0 (O1P) | −60.7 (O3P) | −19.8 (O3P) | −71.5 (O2P) | −53.1 (O2P) |
| β | −178.0 | −180.0 | −141.5 | −174.8 | −145.1 |
| γ | 108.1 | 74.6 | 33.8 | 71.2 | 60.3 |
| δ | −152.4 | −156.7 | −156.7 | −157.8 | −105.9 |
| ∊ | 29.7 | 38.8 | 38.8 | 31.0 | −31.1 |
| χ | −151.9 | −151.5 | −151.5 | −148.7 | −140.5 |
