7BI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.22Å | 1.24Å | |
| C2 | O3 | sing | 1.35Å | 1.25Å | |
| C2 | C4 | sing | 1.46Å | 1.53Å | |
| O5 | C4 | sing | 1.36Å | 1.34Å | |
| C4 | C6 | doub | 1.35Å | 1.52Å | |
| C6 | C8 | sing | 1.51Å | 1.53Å | |
| C6 | O7 | sing | 1.35Å | 1.35Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | S10 | sing | 1.81Å | 1.84Å | |
| C12 | S10 | sing | 1.81Å | 1.78Å | |
| S10 | C11 | sing | 1.81Å | 1.78Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| O5 | H4 | sing | 0.97Å | 0.95Å | |
| O7 | H5 | sing | 0.97Å | 0.95Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | O3 | 120.6° | 120.0° |
| O1 | C2 | C4 | 117.8° | 120.0° |
| O3 | C2 | C4 | 121.6° | 120.0° |
| C2 | O3 | H3 | 109.5° | 114.0° |
| C2 | C4 | O5 | 118.5° | 120.0° |
| C2 | C4 | C6 | 122.8° | 120.0° |
| O5 | C4 | C6 | 118.8° | 120.0° |
| C4 | O5 | H4 | 109.5° | 114.0° |
| C4 | C6 | C8 | 121.1° | 120.0° |
| C4 | C6 | O7 | 118.4° | 120.0° |
| C8 | C6 | O7 | 120.4° | 120.0° |
| C6 | C8 | C9 | 110.1° | 109.5° |
| C6 | C8 | H1 | 109.3° | 109.4° |
| C6 | C8 | H2 | 109.3° | 109.5° |
| C6 | O7 | H5 | 109.5° | 114.0° |
| C8 | C9 | S10 | 109.4° | 109.5° |
| C9 | C8 | H1 | 109.3° | 109.5° |
| C9 | C8 | H2 | 109.3° | 109.5° |
| C8 | C9 | H6 | 109.5° | 109.5° |
| C8 | C9 | H7 | 109.5° | 109.5° |
| C9 | S10 | C12 | 112.9° | 103.0° |
| C9 | S10 | C11 | 110.5° | 103.0° |
| S10 | C9 | H6 | 109.5° | 109.5° |
| S10 | C9 | H7 | 109.5° | 109.4° |
| C12 | S10 | C11 | 109.3° | 103.0° |
| S10 | C12 | H11 | 109.5° | 109.5° |
| S10 | C12 | H12 | 109.5° | 109.5° |
| S10 | C12 | H13 | 109.5° | 109.4° |
| S10 | C11 | H8 | 109.5° | 109.5° |
| S10 | C11 | H9 | 109.5° | 109.4° |
| S10 | C11 | H10 | 109.4° | 109.5° |
| H1 | C8 | H2 | 109.5° | 109.4° |
| H6 | C9 | H7 | 109.5° | 109.4° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H10 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H11 | C12 | H13 | 109.4° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | O3 | C4 | 179.6° | 180.0° |
| O1 | C2 | C4 | O5 | 0.4° | 174.1° |
| O1 | C2 | C4 | C6 | 179.1° | 6.1° |
| O1 | C2 | O3 | H3 | 0.0° | 0.0° |
| O3 | C2 | C4 | O5 | 179.2° | 5.9° |
| O3 | C2 | C4 | C6 | 1.3° | 173.9° |
| C2 | C4 | O5 | C6 | 179.5° | 179.7° |
| C2 | C4 | C6 | C8 | 1.7° | 6.9° |
| C2 | C4 | C6 | O7 | 179.2° | 173.0° |
| C4 | C2 | O3 | H3 | 179.6° | 180.0° |
| C2 | C4 | O5 | H4 | 0.2° | 0.2° |
| O5 | C4 | C6 | C8 | 178.8° | 172.8° |
| O5 | C4 | C6 | O7 | 1.3° | 7.2° |
| C4 | C6 | C8 | O7 | 177.5° | 180.0° |
| C4 | C6 | C8 | C9 | 74.6° | 89.0° |
| C4 | C6 | C8 | H1 | 165.3° | 151.0° |
| C4 | C6 | C8 | H2 | 45.5° | 31.1° |
| C6 | C4 | O5 | H4 | 179.4° | 180.0° |
| C4 | C6 | O7 | H5 | 180.0° | 180.0° |
| C6 | C8 | C9 | H1 | 120.1° | 120.0° |
| C6 | C8 | C9 | H2 | 120.1° | 120.0° |
| C6 | C8 | C9 | S10 | 81.8° | 180.0° |
| C6 | C8 | H1 | H2 | 119.7° | 119.9° |
| C8 | C6 | O7 | H5 | 2.5° | 0.0° |
| C6 | C8 | C9 | H6 | 158.2° | 60.0° |
| C6 | C8 | C9 | H7 | 38.1° | 60.0° |
| O7 | C6 | C8 | C9 | 107.9° | 91.0° |
| O7 | C6 | C8 | H1 | 12.2° | 29.0° |
| O7 | C6 | C8 | H2 | 132.0° | 148.9° |
| C8 | C9 | S10 | H6 | 120.0° | 120.1° |
| C8 | C9 | S10 | H7 | 120.0° | 120.0° |
| C8 | C9 | S10 | C12 | 99.5° | 73.1° |
| C8 | C9 | S10 | C11 | 137.8° | 180.0° |
| C9 | C8 | H1 | H2 | 119.7° | 120.0° |
| C8 | C9 | H6 | H7 | 120.1° | 120.0° |
| C9 | S10 | C12 | C11 | 123.3° | 106.9° |
| S10 | C9 | C8 | H1 | 38.3° | 60.0° |
| S10 | C9 | C8 | H2 | 158.1° | 60.0° |
| S10 | C9 | H6 | H7 | 120.0° | 119.9° |
| C9 | S10 | C11 | H8 | 180.0° | 60.0° |
| C9 | S10 | C11 | H9 | 60.0° | 180.0° |
| C9 | S10 | C11 | H10 | 60.0° | 60.0° |
| C9 | S10 | C12 | H11 | 180.0° | 59.9° |
| C9 | S10 | C12 | H12 | 60.0° | 180.0° |
| C9 | S10 | C12 | H13 | 60.0° | 60.1° |
| C12 | S10 | C9 | H6 | 140.5° | 166.9° |
| C12 | S10 | C9 | H7 | 20.5° | 46.9° |
| C12 | S10 | C11 | H8 | 55.3° | 46.9° |
| C12 | S10 | C11 | H9 | 175.3° | 73.1° |
| C12 | S10 | C11 | H10 | 64.7° | 166.9° |
| S10 | C12 | H11 | H12 | 120.0° | 120.0° |
| S10 | C12 | H11 | H13 | 120.0° | 120.0° |
| S10 | C12 | H12 | H13 | 120.0° | 119.9° |
| C11 | S10 | C9 | H6 | 17.9° | 59.9° |
| C11 | S10 | C9 | H7 | 102.1° | 60.0° |
| S10 | C11 | H8 | H9 | 120.0° | 120.0° |
| S10 | C11 | H8 | H10 | 120.0° | 120.0° |
| S10 | C11 | H9 | H10 | 120.0° | 120.0° |
| C11 | S10 | C12 | H11 | 56.7° | 166.9° |
| C11 | S10 | C12 | H12 | 63.3° | 73.1° |
| C11 | S10 | C12 | H13 | 176.7° | 46.9° |
| H1 | C8 | C9 | H6 | 81.7° | 180.0° |
| H1 | C8 | C9 | H7 | 158.3° | 60.0° |
| H2 | C8 | C9 | H6 | 38.1° | 60.0° |
| H2 | C8 | C9 | H7 | 81.9° | 180.0° |
| H8 | C11 | H9 | H10 | 120.0° | 120.0° |
| H11 | C12 | H12 | H13 | 120.0° | 120.0° |
