BTW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | C5 | sing | 1.51Å | 1.54Å | |
| O1 | C11 | doub | 1.21Å | 1.25Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C11 | sing | 1.51Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.49Å | |
| C3 | S1 | sing | 1.81Å | 1.81Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | O2 | sing | 1.34Å | 1.26Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| S1 | HS1 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 110.8° | 109.4° |
| C1 | C2 | C3 | 113.6° | 109.5° |
| C1 | C2 | C11 | 109.2° | 109.4° |
| C2 | C1 | H1 | 109.0° | 109.4° |
| C2 | C1 | H1A | 108.7° | 109.5° |
| C1 | C2 | H2 | 107.1° | 109.5° |
| C1 | C5 | C6 | 120.3° | 120.0° |
| C1 | C5 | C10 | 120.4° | 120.0° |
| C5 | C1 | H1 | 109.0° | 109.5° |
| C5 | C1 | H1A | 108.7° | 109.5° |
| O1 | C11 | C2 | 117.9° | 120.0° |
| O1 | C11 | O2 | 125.2° | 120.0° |
| C3 | C2 | C11 | 110.3° | 109.5° |
| C2 | C3 | C4 | 112.9° | 109.5° |
| C2 | C3 | S1 | 111.4° | 109.5° |
| C3 | C2 | H2 | 105.9° | 109.5° |
| C2 | C3 | H3 | 103.5° | 109.5° |
| C2 | C11 | O2 | 116.9° | 120.0° |
| C11 | C2 | H2 | 110.6° | 109.5° |
| C4 | C3 | S1 | 101.0° | 109.5° |
| C4 | C3 | H3 | 113.5° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H4A | 109.5° | 109.5° |
| C3 | C4 | H4B | 109.5° | 109.5° |
| S1 | C3 | H3 | 114.9° | 109.5° |
| C3 | S1 | HS1 | 109.5° | 103.0° |
| C6 | C5 | C10 | 119.4° | 120.0° |
| C5 | C6 | C7 | 121.1° | 120.0° |
| C5 | C6 | H6 | 119.5° | 120.0° |
| C5 | C10 | C9 | 120.1° | 120.0° |
| C5 | C10 | H10 | 119.9° | 120.0° |
| C6 | C7 | C8 | 118.9° | 120.0° |
| C7 | C6 | H6 | 119.4° | 120.0° |
| C6 | C7 | H7 | 120.6° | 120.0° |
| C7 | C8 | C9 | 120.4° | 120.0° |
| C8 | C7 | H7 | 120.5° | 120.0° |
| C7 | C8 | H8 | 119.8° | 120.0° |
| C8 | C9 | C10 | 120.1° | 120.0° |
| C9 | C8 | H8 | 119.8° | 120.0° |
| C8 | C9 | H9 | 119.9° | 120.0° |
| C9 | C10 | H10 | 120.0° | 120.0° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C11 | O2 | HO2 | 109.5° | 117.0° |
| H1 | C1 | H1A | 110.5° | 109.5° |
| H4 | C4 | H4A | 109.5° | 109.4° |
| H4 | C4 | H4B | 109.4° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | H1 | 120.0° | 119.9° |
| C2 | C1 | C5 | H1A | 119.4° | 120.0° |
| C1 | C2 | C11 | O1 | 108.5° | 0.0° |
| C1 | C2 | C3 | C11 | 122.9° | 120.0° |
| C1 | C2 | C3 | H2 | 117.3° | 120.0° |
| C1 | C2 | C11 | H2 | 117.6° | 120.0° |
| C1 | C2 | C3 | C4 | 84.9° | 180.0° |
| C1 | C2 | C3 | S1 | 162.3° | 60.0° |
| C2 | C1 | C5 | C6 | 82.4° | 90.0° |
| C2 | C1 | C5 | C10 | 95.8° | 90.3° |
| C1 | C2 | C11 | O2 | 71.0° | 180.0° |
| C2 | C1 | H1 | H1A | 119.4° | 120.0° |
| C1 | C2 | C3 | H3 | 38.2° | 60.0° |
| C5 | C1 | C2 | C3 | 173.3° | 175.0° |
| C5 | C1 | C2 | C11 | 63.2° | 65.0° |
| C1 | C5 | C6 | C10 | 178.2° | 179.7° |
| C1 | C5 | C6 | C7 | 178.6° | 180.0° |
| C1 | C5 | C10 | C9 | 178.3° | 179.8° |
| C5 | C1 | H1 | H1A | 119.5° | 120.0° |
| C5 | C1 | C2 | H2 | 56.7° | 55.0° |
| C1 | C5 | C6 | H6 | 1.5° | 0.1° |
| C1 | C5 | C10 | H10 | 1.7° | 0.0° |
| O1 | C11 | C2 | C3 | 126.0° | 120.0° |
| O1 | C11 | C2 | O2 | 179.5° | 180.0° |
| O1 | C11 | C2 | H2 | 9.2° | 120.0° |
| O1 | C11 | O2 | HO2 | 0.0° | 0.1° |
| C3 | C2 | C11 | H2 | 116.9° | 120.0° |
| C2 | C3 | C4 | S1 | 119.0° | 120.0° |
| C2 | C3 | C4 | H3 | 117.4° | 120.0° |
| C2 | C3 | S1 | H3 | 117.3° | 120.0° |
| C3 | C2 | C11 | O2 | 54.5° | 60.0° |
| C3 | C2 | C1 | H1 | 53.3° | 55.0° |
| C3 | C2 | C1 | H1A | 67.3° | 65.0° |
| C2 | C3 | C4 | H4 | 26.2° | 60.0° |
| C2 | C3 | C4 | H4A | 93.8° | 180.0° |
| C2 | C3 | C4 | H4B | 146.2° | 60.0° |
| C2 | C3 | S1 | HS1 | 141.5° | 60.0° |
| C11 | C2 | C3 | C4 | 152.2° | 60.0° |
| C11 | C2 | C3 | S1 | 39.3° | 60.0° |
| C11 | C2 | C1 | H1 | 176.8° | 175.0° |
| C11 | C2 | C1 | H1A | 56.3° | 55.0° |
| C11 | C2 | C3 | H3 | 84.7° | 180.0° |
| C2 | C11 | O2 | HO2 | 179.4° | 179.9° |
| C4 | C3 | S1 | H3 | 122.6° | 120.0° |
| C4 | C3 | C2 | H2 | 32.4° | 60.0° |
| C3 | C4 | H4 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4B | 120.0° | 120.1° |
| C3 | C4 | H4A | H4B | 120.0° | 120.0° |
| C4 | C3 | S1 | HS1 | 21.4° | 60.0° |
| S1 | C3 | C2 | H2 | 80.4° | 180.0° |
| S1 | C3 | C4 | H4 | 145.3° | 60.0° |
| S1 | C3 | C4 | H4A | 25.3° | 60.0° |
| S1 | C3 | C4 | H4B | 94.8° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.7° | 0.0° |
| C6 | C5 | C10 | C9 | 0.1° | 0.5° |
| C6 | C5 | C1 | H1 | 157.6° | 29.9° |
| C6 | C5 | C1 | H1A | 37.0° | 150.0° |
| C5 | C6 | C7 | H7 | 179.3° | 179.9° |
| C6 | C5 | C10 | H10 | 179.9° | 179.7° |
| C10 | C5 | C6 | C7 | 0.4° | 0.3° |
| C5 | C10 | C9 | C8 | 0.2° | 0.4° |
| C5 | C10 | C9 | H10 | 180.0° | 179.8° |
| C10 | C5 | C1 | H1 | 24.2° | 149.8° |
| C10 | C5 | C1 | H1A | 144.8° | 29.7° |
| C10 | C5 | C6 | H6 | 179.7° | 179.8° |
| C5 | C10 | C9 | H9 | 179.8° | 179.7° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.9° | 0.0° |
| C6 | C7 | C8 | H8 | 179.2° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.6° | 0.2° |
| C8 | C7 | C6 | H6 | 179.3° | 180.0° |
| C7 | C8 | C9 | H9 | 179.4° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C9 | C8 | C7 | H7 | 179.2° | 180.0° |
| C8 | C9 | C10 | H10 | 179.8° | 179.8° |
| C10 | C9 | C8 | H8 | 179.4° | 179.9° |
| O2 | C11 | C2 | H2 | 171.4° | 60.0° |
| H1 | C1 | C2 | H2 | 63.3° | 65.0° |
| H1A | C1 | C2 | H2 | 176.1° | 175.0° |
| H2 | C2 | C3 | H3 | 155.5° | 60.0° |
| H3 | C3 | C4 | H4 | 91.1° | 179.9° |
| H3 | C3 | C4 | H4A | 148.8° | 60.0° |
| H3 | C3 | C4 | H4B | 28.8° | 60.0° |
| H3 | C3 | S1 | HS1 | 101.2° | 179.9° |
| H4 | C4 | H4A | H4B | 119.9° | 120.0° |
| H6 | C6 | C7 | H7 | 0.7° | 0.0° |
| H7 | C7 | C8 | H8 | 0.8° | 0.0° |
| H8 | C8 | C9 | H9 | 0.6° | 0.0° |
| H10 | C10 | C9 | H9 | 0.2° | 0.1° |
