3H7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F09 | C08 | sing | 1.35Å | 1.34Å | |
| C08 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C07 | C05 | doub | 1.37Å | 1.39Å | Aromatic |
| C11 | C04 | doub | 1.40Å | 1.37Å | Aromatic |
| C11 | S12 | sing | 1.76Å | 1.74Å | Aromatic |
| C05 | C04 | sing | 1.41Å | 1.43Å | Aromatic |
| C05 | F06 | sing | 1.35Å | 1.33Å | |
| C04 | N03 | sing | 1.35Å | 1.38Å | Aromatic |
| S12 | C02 | sing | 1.76Å | 1.72Å | Aromatic |
| N03 | C02 | doub | 1.29Å | 1.35Å | Aromatic |
| C02 | N01 | sing | 1.38Å | 1.43Å | |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F09 | C08 | C10 | 120.5° | 120.0° |
| F09 | C08 | C07 | 121.2° | 120.0° |
| C10 | C08 | C07 | 118.3° | 120.0° |
| C08 | C10 | C11 | 120.9° | 120.2° |
| C08 | C10 | H4 | 119.5° | 119.9° |
| C08 | C07 | C05 | 121.1° | 120.5° |
| C08 | C07 | H3 | 119.5° | 119.7° |
| C10 | C11 | C04 | 120.3° | 120.4° |
| C10 | C11 | S12 | 135.3° | 131.1° |
| C11 | C10 | H4 | 119.5° | 119.9° |
| C07 | C05 | C04 | 120.0° | 120.4° |
| C07 | C05 | F06 | 120.1° | 119.8° |
| C05 | C07 | H3 | 119.4° | 119.7° |
| C04 | C11 | S12 | 104.4° | 108.5° |
| C11 | C04 | C05 | 119.4° | 118.5° |
| C11 | C04 | N03 | 116.2° | 112.9° |
| C11 | S12 | C02 | 96.8° | 90.5° |
| C04 | C05 | F06 | 119.9° | 119.8° |
| C05 | C04 | N03 | 124.4° | 128.7° |
| C04 | N03 | C02 | 116.5° | 117.8° |
| S12 | C02 | N03 | 106.1° | 110.3° |
| S12 | C02 | N01 | 125.5° | 124.9° |
| N03 | C02 | N01 | 128.4° | 124.8° |
| C02 | N01 | H1 | 109.5° | 120.0° |
| C02 | N01 | H2 | 109.5° | 120.0° |
| H1 | N01 | H2 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F09 | C08 | C10 | C07 | 179.8° | 180.0° |
| F09 | C08 | C10 | C11 | 179.9° | 180.0° |
| F09 | C08 | C07 | C05 | 179.8° | 180.0° |
| F09 | C08 | C07 | H3 | 0.2° | 0.0° |
| F09 | C08 | C10 | H4 | 0.2° | 0.1° |
| C08 | C10 | C11 | H4 | 180.0° | 179.9° |
| C10 | C08 | C07 | C05 | 0.0° | 0.0° |
| C08 | C10 | C11 | C04 | 0.1° | 0.0° |
| C08 | C10 | C11 | S12 | 179.7° | 179.7° |
| C10 | C08 | C07 | H3 | 180.0° | 180.0° |
| C07 | C08 | C10 | C11 | 0.0° | 0.0° |
| C08 | C07 | C05 | H3 | 180.0° | 179.9° |
| C08 | C07 | C05 | C04 | 0.1° | 0.1° |
| C08 | C07 | C05 | F06 | 179.8° | 180.0° |
| C07 | C08 | C10 | H4 | 180.0° | 179.9° |
| C10 | C11 | C04 | S12 | 179.9° | 179.8° |
| C10 | C11 | C04 | C05 | 0.1° | 0.0° |
| C10 | C11 | C04 | N03 | 179.9° | 180.0° |
| C10 | C11 | S12 | C02 | 180.0° | 180.0° |
| C07 | C05 | C04 | C11 | 0.1° | 0.1° |
| C07 | C05 | C04 | F06 | 179.8° | 179.9° |
| C07 | C05 | C04 | N03 | 179.9° | 180.0° |
| C11 | C04 | C05 | N03 | 179.8° | 179.9° |
| C11 | C04 | C05 | F06 | 179.7° | 180.0° |
| C04 | C11 | S12 | C02 | 0.1° | 0.3° |
| C11 | C04 | N03 | C02 | 0.1° | 0.0° |
| C04 | C11 | C10 | H4 | 179.9° | 179.9° |
| S12 | C11 | C04 | C05 | 179.8° | 179.7° |
| S12 | C11 | C04 | N03 | 0.1° | 0.2° |
| C11 | S12 | C02 | N03 | 0.2° | 0.3° |
| C11 | S12 | C02 | N01 | 179.9° | 179.9° |
| S12 | C11 | C10 | H4 | 0.3° | 0.4° |
| C05 | C04 | N03 | C02 | 179.9° | 179.9° |
| C04 | C05 | C07 | H3 | 179.9° | 180.0° |
| F06 | C05 | C04 | N03 | 0.1° | 0.1° |
| F06 | C05 | C07 | H3 | 0.2° | 0.1° |
| C04 | N03 | C02 | S12 | 0.2° | 0.2° |
| C04 | N03 | C02 | N01 | 179.9° | 180.0° |
| S12 | C02 | N03 | N01 | 179.8° | 179.8° |
| S12 | C02 | N01 | H1 | 0.0° | 179.7° |
| S12 | C02 | N01 | H2 | 120.0° | 0.5° |
| N03 | C02 | N01 | H1 | 179.7° | 0.1° |
| N03 | C02 | N01 | H2 | 59.7° | 179.7° |
| C02 | N01 | H1 | H2 | 120.0° | 179.8° |
