02Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O29 | C28 | doub | 1.21Å | 1.23Å | |
| C28 | C9 | sing | 1.51Å | 1.52Å | |
| C38 | C33 | sing | 1.51Å | 1.54Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C32 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C9 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C28 | OXT | sing | 1.34Å | 139.03Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O29 | C28 | C9 | 121.5° | 120.1° |
| O29 | C28 | OXT | 143.1° | 120.0° |
| C28 | C9 | C31 | 110.4° | 109.4° |
| C28 | C9 | H9 | 109.2° | 109.5° |
| C28 | C9 | H9A | 109.2° | 109.5° |
| C9 | C28 | OXT | 71.6° | 120.0° |
| C33 | C38 | H38 | 109.5° | 109.5° |
| C33 | C38 | H38A | 109.5° | 109.5° |
| C33 | C38 | H38B | 109.4° | 109.5° |
| C38 | C33 | C32 | 120.9° | 120.0° |
| C38 | C33 | C34 | 119.4° | 120.0° |
| H38 | C38 | H38A | 109.5° | 109.4° |
| H38 | C38 | H38B | 109.4° | 109.4° |
| H38A | C38 | H38B | 109.5° | 109.5° |
| C32 | C33 | C34 | 119.7° | 120.0° |
| C33 | C32 | C36 | 119.5° | 120.0° |
| C33 | C32 | C31 | 123.2° | 120.0° |
| C33 | C34 | C35 | 120.2° | 120.0° |
| C33 | C34 | H34 | 119.9° | 120.0° |
| C35 | C34 | H34 | 119.9° | 120.0° |
| C34 | C35 | C37 | 120.5° | 120.0° |
| C34 | C35 | H35 | 119.8° | 120.0° |
| C37 | C35 | H35 | 119.7° | 120.0° |
| C35 | C37 | C36 | 119.4° | 120.0° |
| C35 | C37 | H37 | 120.3° | 120.0° |
| C36 | C37 | H37 | 120.3° | 120.0° |
| C37 | C36 | C32 | 120.6° | 120.0° |
| C37 | C36 | H36 | 119.7° | 120.0° |
| C32 | C36 | H36 | 119.7° | 120.0° |
| C36 | C32 | C31 | 117.3° | 120.0° |
| C32 | C31 | C9 | 112.1° | 109.4° |
| C32 | C31 | H31 | 108.6° | 109.5° |
| C32 | C31 | H31A | 108.6° | 109.5° |
| C9 | C31 | H31 | 108.6° | 109.5° |
| C9 | C31 | H31A | 108.6° | 109.5° |
| C31 | C9 | H9 | 109.2° | 109.5° |
| C31 | C9 | H9A | 109.2° | 109.5° |
| H31 | C31 | H31A | 110.4° | 109.5° |
| H9 | C9 | H9A | 109.8° | 109.5° |
| C28 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O29 | C28 | C9 | OXT | 141.7° | 179.7° |
| O29 | C28 | C9 | C31 | 31.4° | 0.2° |
| O29 | C28 | C9 | H9 | 151.4° | 120.3° |
| O29 | C28 | C9 | H9A | 88.6° | 119.7° |
| O29 | C28 | OXT | HXT | 90.0° | 0.3° |
| C28 | C9 | C31 | C32 | 172.6° | 180.0° |
| C28 | C9 | C31 | H9 | 120.0° | 120.0° |
| C28 | C9 | C31 | H9A | 120.0° | 119.9° |
| C28 | C9 | C31 | H31 | 67.4° | 60.1° |
| C28 | C9 | C31 | H31A | 52.6° | 60.0° |
| C28 | C9 | H9 | H9A | 119.6° | 120.0° |
| C9 | C28 | OXT | HXT | 90.0° | 180.0° |
| C33 | C38 | H38 | H38A | 120.0° | 120.1° |
| C33 | C38 | H38 | H38B | 120.0° | 120.0° |
| C33 | C38 | H38A | H38B | 120.0° | 120.0° |
| C38 | C33 | C32 | C34 | 179.9° | 179.8° |
| C38 | C33 | C34 | C35 | 180.0° | 180.0° |
| C38 | C33 | C34 | H34 | 0.0° | 0.0° |
| C38 | C33 | C32 | C36 | 179.7° | 179.8° |
| C38 | C33 | C32 | C31 | 0.5° | 0.1° |
| H38 | C38 | H38A | H38B | 120.0° | 119.9° |
| H38 | C38 | C33 | C32 | 89.9° | 90.3° |
| H38 | C38 | C33 | C34 | 90.0° | 90.0° |
| H38A | C38 | C33 | C32 | 150.1° | 29.7° |
| H38A | C38 | C33 | C34 | 30.1° | 150.0° |
| H38B | C38 | C33 | C32 | 30.1° | 149.8° |
| H38B | C38 | C33 | C34 | 150.1° | 30.0° |
| C32 | C33 | C34 | C35 | 0.2° | 0.2° |
| C32 | C33 | C34 | H34 | 179.8° | 179.8° |
| C33 | C32 | C36 | C37 | 0.4° | 0.5° |
| C33 | C32 | C36 | C31 | 179.3° | 179.8° |
| C33 | C32 | C36 | H36 | 179.6° | 179.7° |
| C33 | C32 | C31 | C9 | 130.6° | 85.1° |
| C33 | C32 | C31 | H31 | 10.7° | 155.0° |
| C33 | C32 | C31 | H31A | 109.4° | 35.0° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C37 | 0.1° | 0.0° |
| C33 | C34 | C35 | H35 | 179.9° | 179.9° |
| C34 | C33 | C32 | C36 | 0.4° | 0.5° |
| C34 | C33 | C32 | C31 | 179.6° | 179.7° |
| C34 | C35 | C37 | H35 | 180.0° | 179.9° |
| C34 | C35 | C37 | C36 | 0.1° | 0.0° |
| C34 | C35 | C37 | H37 | 179.9° | 180.0° |
| H34 | C34 | C35 | C37 | 179.9° | 180.0° |
| H34 | C34 | C35 | H35 | 0.1° | 0.0° |
| C35 | C37 | C36 | H37 | 180.0° | 180.0° |
| C35 | C37 | C36 | C32 | 0.2° | 0.2° |
| C35 | C37 | C36 | H36 | 179.8° | 179.9° |
| H35 | C35 | C37 | C36 | 179.9° | 179.9° |
| H35 | C35 | C37 | H37 | 0.1° | 0.0° |
| C37 | C36 | C32 | H36 | 180.0° | 179.8° |
| C37 | C36 | C32 | C31 | 179.7° | 179.7° |
| H37 | C37 | C36 | C32 | 179.8° | 179.8° |
| H37 | C37 | C36 | H36 | 0.1° | 0.0° |
| C36 | C32 | C31 | C9 | 50.1° | 94.7° |
| C36 | C32 | C31 | H31 | 170.1° | 25.2° |
| C36 | C32 | C31 | H31A | 69.9° | 145.2° |
| H36 | C36 | C32 | C31 | 0.3° | 0.1° |
| C32 | C31 | C9 | H31 | 120.0° | 119.9° |
| C32 | C31 | C9 | H31A | 120.0° | 120.0° |
| C32 | C31 | H31 | H31A | 118.9° | 120.0° |
| C32 | C31 | C9 | H9 | 67.4° | 60.0° |
| C32 | C31 | C9 | H9A | 52.6° | 60.1° |
| C9 | C31 | H31 | H31A | 118.9° | 120.1° |
| C31 | C9 | H9 | H9A | 119.6° | 120.0° |
| C31 | C9 | C28 | OXT | 110.3° | 180.0° |
| H31 | C31 | C9 | H9 | 52.6° | 60.0° |
| H31 | C31 | C9 | H9A | 172.5° | NaN° |
| H31A | C31 | C9 | H9 | 172.6° | 180.0° |
| H31A | C31 | C9 | H9A | 67.4° | 60.0° |
| H9 | C9 | C28 | OXT | 9.7° | 60.0° |
| H9A | C9 | C28 | OXT | 129.7° | 60.0° |
