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Bond Angle Parameters Developed for Org27569
| Type | Type | Type | Kθa | θ 0 b | Type | Type | Type | Kθa | θ 0 b |
|---|---|---|---|---|---|---|---|---|---|
| C61 | C61 | C21 | 45.8 | 125.0 | C21 | NG1 | HP1 | 45.0 | 117.0 |
| CO1 | NG1 | C21 | 50.0 | 115.0 | NG1 | CO1 | OD1 | 99.0 | 122.5 |
| C61 | C21 | C21 | 51.8 | 113.5 | HG2 | C21 | HG2 | 38.0 | 109.0 |
| C51 | CO1 | OD1 | 72.0 | 115.5 | CO1 | NG1 | HP1 | 44.0 | 123.0 |
| N51 | C51 | CO1 | 45.0 | 124.2 | C51 | C51 | CO1 | 45.0 | 147.0 |
Bold force constants were altered during the fit to the experimental IR spectrum.
Bold equilibrium values were altered during the conformational analysis.
