7BC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | doub | 1.33Å | 1.42Å | |
| C4 | C3 | sing | 1.47Å | 1.48Å | |
| O3 | C3 | doub | 1.22Å | 1.21Å | |
| C3 | O2 | sing | 1.35Å | 1.34Å | |
| O2 | C2 | sing | 1.45Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | O1 | sing | 1.34Å | 1.25Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 122.4° | 120.0° |
| C5 | C4 | H1 | 118.8° | 120.0° |
| C4 | C5 | H3 | 120.0° | 120.0° |
| C4 | C5 | H4 | 120.0° | 120.0° |
| C4 | C3 | O3 | 125.5° | 120.0° |
| C4 | C3 | O2 | 111.7° | 120.0° |
| C3 | C4 | H1 | 118.8° | 120.0° |
| O3 | C3 | O2 | 122.8° | 120.0° |
| C3 | O2 | C2 | 116.5° | 117.0° |
| O2 | C2 | C1 | 110.6° | 109.5° |
| O2 | C2 | H6 | 109.2° | 109.5° |
| O2 | C2 | H7 | 109.2° | 109.5° |
| C2 | C1 | C | 113.5° | 109.5° |
| C1 | C2 | H6 | 109.2° | 109.5° |
| C1 | C2 | H7 | 109.2° | 109.5° |
| C2 | C1 | H8 | 108.5° | 109.5° |
| C2 | C1 | H9 | 108.5° | 109.4° |
| C1 | C | O | 117.7° | 120.0° |
| C1 | C | O1 | 118.5° | 120.0° |
| C | C1 | H8 | 108.5° | 109.5° |
| C | C1 | H9 | 108.5° | 109.5° |
| O | C | O1 | 123.8° | 120.0° |
| C | O1 | H10 | 109.5° | 117.0° |
| H3 | C5 | H4 | 120.0° | 120.0° |
| H6 | C2 | H7 | 109.5° | 109.4° |
| H8 | C1 | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H1 | 180.0° | 180.0° |
| C5 | C4 | C3 | O3 | 0.1° | 0.0° |
| C5 | C4 | C3 | O2 | 180.0° | 179.7° |
| C4 | C5 | H3 | H4 | 180.0° | 180.0° |
| C4 | C3 | O3 | O2 | 180.0° | 179.7° |
| C4 | C3 | O2 | C2 | 83.1° | 179.7° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | H4 | 0.0° | 0.0° |
| O3 | C3 | O2 | C2 | 96.8° | 0.0° |
| O3 | C3 | C4 | H1 | 179.9° | 180.0° |
| C3 | O2 | C2 | C1 | 146.7° | 180.0° |
| O2 | C3 | C4 | H1 | 0.0° | 0.3° |
| C3 | O2 | C2 | H6 | 93.1° | 59.9° |
| C3 | O2 | C2 | H7 | 26.6° | 60.0° |
| O2 | C2 | C1 | H6 | 120.2° | 120.1° |
| O2 | C2 | C1 | H7 | 120.1° | 120.0° |
| O2 | C2 | C1 | C | 83.5° | 180.0° |
| O2 | C2 | H6 | H7 | 119.5° | 119.9° |
| O2 | C2 | C1 | H8 | 155.9° | 60.0° |
| O2 | C2 | C1 | H9 | 37.1° | 60.0° |
| C2 | C1 | C | H8 | 120.6° | 120.0° |
| C2 | C1 | C | H9 | 120.6° | 119.9° |
| C2 | C1 | C | O | 39.4° | 0.0° |
| C2 | C1 | C | O1 | 140.7° | 180.0° |
| C1 | C2 | H6 | H7 | 119.5° | 120.0° |
| C2 | C1 | H8 | H9 | 118.2° | 120.0° |
| C1 | C | O | O1 | 180.0° | 180.0° |
| C | C1 | C2 | H6 | 36.7° | 59.9° |
| C | C1 | C2 | H7 | 156.3° | 60.0° |
| C | C1 | H8 | H9 | 118.2° | 120.0° |
| C1 | C | O1 | H10 | 180.0° | 180.0° |
| O | C | C1 | H8 | 81.2° | 120.0° |
| O | C | C1 | H9 | 160.0° | 120.0° |
| O | C | O1 | H10 | 0.0° | 0.0° |
| O1 | C | C1 | H8 | 98.7° | 60.0° |
| O1 | C | C1 | H9 | 20.1° | 60.0° |
| H1 | C4 | C5 | H3 | 0.0° | 0.0° |
| H1 | C4 | C5 | H4 | 180.0° | 180.0° |
| H6 | C2 | C1 | H8 | 83.9° | 180.0° |
| H6 | C2 | C1 | H9 | 157.3° | 60.0° |
| H7 | C2 | C1 | H8 | 35.7° | 60.0° |
| H7 | C2 | C1 | H9 | 83.1° | 180.0° |
