BP6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA1 | CA2 | doub | 1.40Å | 1.42Å | Aromatic |
| CA1 | CA6 | sing | 1.39Å | 1.42Å | Aromatic |
| CA1 | CB1 | sing | 1.48Å | 1.52Å | Aromatic |
| CA2 | OA2 | sing | 1.36Å | 1.38Å | |
| CA2 | CA3 | sing | 1.39Å | 1.41Å | Aromatic |
| OA2 | HA2 | sing | 0.97Å | 0.95Å | |
| CA3 | OA3 | sing | 1.36Å | 1.38Å | |
| CA3 | CA4 | doub | 1.38Å | 1.42Å | Aromatic |
| OA3 | HA3 | sing | 0.97Å | 0.95Å | |
| CA4 | CA5 | sing | 1.38Å | 1.42Å | Aromatic |
| CA4 | HA4 | sing | 1.08Å | 1.10Å | |
| CA5 | CA6 | doub | 1.38Å | 1.42Å | Aromatic |
| CA5 | HA5 | sing | 1.08Å | 1.10Å | |
| CA6 | HA6 | sing | 1.08Å | 1.10Å | |
| CB1 | CB2 | doub | 1.39Å | 1.43Å | Aromatic |
| CB1 | CB6 | sing | 1.39Å | 1.43Å | Aromatic |
| CB2 | CB3 | sing | 1.38Å | 1.42Å | Aromatic |
| CB2 | CL1 | sing | 1.74Å | 1.74Å | |
| CB3 | CB4 | doub | 1.38Å | 1.41Å | Aromatic |
| CB3 | HB3 | sing | 1.08Å | 1.10Å | |
| CB4 | CB5 | sing | 1.38Å | 1.41Å | Aromatic |
| CB4 | HB4 | sing | 1.08Å | 1.10Å | |
| CB5 | CB6 | doub | 1.38Å | 1.42Å | Aromatic |
| CB5 | HB5 | sing | 1.08Å | 1.10Å | |
| CB6 | CL2 | sing | 1.74Å | 1.74Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA2 | CA1 | CA6 | 118.1° | 119.7° |
| CA2 | CA1 | CB1 | 120.7° | 120.1° |
| CA1 | CA2 | OA2 | 122.9° | 120.1° |
| CA1 | CA2 | CA3 | 121.3° | 119.7° |
| CA6 | CA1 | CB1 | 121.1° | 120.1° |
| CA1 | CA6 | CA5 | 121.2° | 120.0° |
| CA1 | CA6 | HA6 | 119.2° | 120.0° |
| CA1 | CB1 | CB2 | 120.3° | 120.2° |
| CA1 | CB1 | CB6 | 122.8° | 120.1° |
| OA2 | CA2 | CA3 | 115.8° | 120.1° |
| CA2 | OA2 | HA2 | 122.9° | 106.8° |
| CA2 | CA3 | OA3 | 117.1° | 120.0° |
| CA2 | CA3 | CA4 | 120.5° | 120.0° |
| OA3 | CA3 | CA4 | 122.3° | 120.0° |
| CA3 | OA3 | HA3 | 117.2° | 106.8° |
| CA3 | CA4 | CA5 | 118.8° | 120.2° |
| CA3 | CA4 | HA4 | 120.6° | 119.9° |
| CA5 | CA4 | HA4 | 120.7° | 119.9° |
| CA4 | CA5 | CA6 | 120.1° | 120.3° |
| CA4 | CA5 | HA5 | 119.9° | 119.9° |
| CA6 | CA5 | HA5 | 120.0° | 119.8° |
| CA5 | CA6 | HA6 | 119.6° | 120.0° |
| CB2 | CB1 | CB6 | 117.0° | 119.7° |
| CB1 | CB2 | CB3 | 121.9° | 119.9° |
| CB1 | CB2 | CL1 | 123.5° | 120.0° |
| CB1 | CB6 | CB5 | 121.3° | 119.9° |
| CB1 | CB6 | CL2 | 124.8° | 120.1° |
| CB3 | CB2 | CL1 | 114.7° | 120.1° |
| CB2 | CB3 | CB4 | 120.1° | 120.2° |
| CB2 | CB3 | HB3 | 120.2° | 119.9° |
| CB4 | CB3 | HB3 | 119.7° | 119.9° |
| CB3 | CB4 | CB5 | 119.4° | 120.2° |
| CB3 | CB4 | HB4 | 120.3° | 119.9° |
| CB5 | CB4 | HB4 | 120.3° | 119.8° |
| CB4 | CB5 | CB6 | 120.3° | 120.1° |
| CB4 | CB5 | HB5 | 119.5° | 119.9° |
| CB6 | CB5 | HB5 | 120.2° | 119.9° |
| CB5 | CB6 | CL2 | 113.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA2 | CA1 | CA6 | CB1 | 179.6° | 179.7° |
| CA1 | CA2 | OA2 | CA3 | 179.7° | 179.4° |
| CA1 | CA2 | OA2 | HA2 | 180.0° | 90.1° |
| CA1 | CA2 | CA3 | OA3 | 179.8° | 179.7° |
| CA1 | CA2 | CA3 | CA4 | 0.1° | 0.6° |
| CA2 | CA1 | CA6 | CA5 | 0.1° | 0.3° |
| CA2 | CA1 | CA6 | HA6 | 180.0° | 179.7° |
| CA2 | CA1 | CB1 | CB2 | 71.8° | 89.7° |
| CA2 | CA1 | CB1 | CB6 | 108.0° | 90.1° |
| CA6 | CA1 | CA2 | OA2 | 179.8° | 180.0° |
| CA6 | CA1 | CA2 | CA3 | 0.1° | 0.6° |
| CA1 | CA6 | CA5 | CA4 | 0.2° | 0.0° |
| CA1 | CA6 | CA5 | HA6 | 180.0° | 179.9° |
| CA1 | CA6 | CA5 | HA5 | 179.8° | 180.0° |
| CA6 | CA1 | CB1 | CB2 | 107.8° | 89.9° |
| CA6 | CA1 | CB1 | CB6 | 72.3° | 90.3° |
| CB1 | CA1 | CA2 | OA2 | 0.2° | 0.3° |
| CB1 | CA1 | CA2 | CA3 | 179.5° | 179.7° |
| CB1 | CA1 | CA6 | CA5 | 179.7° | 180.0° |
| CB1 | CA1 | CA6 | HA6 | 0.3° | 0.1° |
| CA1 | CB1 | CB2 | CB6 | 179.9° | 179.8° |
| CA1 | CB1 | CB2 | CB3 | 179.9° | 179.9° |
| CA1 | CB1 | CB2 | CL1 | 0.0° | 0.1° |
| CA1 | CB1 | CB6 | CB5 | 179.9° | 179.7° |
| CA1 | CB1 | CB6 | CL2 | 0.0° | 0.2° |
| OA2 | CA2 | CA3 | OA3 | 0.1° | 0.2° |
| OA2 | CA2 | CA3 | CA4 | 179.9° | 180.0° |
| CA3 | CA2 | OA2 | HA2 | 0.3° | 90.5° |
| CA2 | CA3 | OA3 | CA4 | 180.0° | 179.8° |
| CA2 | CA3 | OA3 | HA3 | 180.0° | 90.3° |
| CA2 | CA3 | CA4 | CA5 | 0.0° | 0.2° |
| CA2 | CA3 | CA4 | HA4 | 180.0° | 179.7° |
| OA3 | CA3 | CA4 | CA5 | 180.0° | 180.0° |
| OA3 | CA3 | CA4 | HA4 | 0.0° | 0.0° |
| CA4 | CA3 | OA3 | HA3 | 0.0° | 90.0° |
| CA3 | CA4 | CA5 | HA4 | 180.0° | 180.0° |
| CA3 | CA4 | CA5 | CA6 | 0.1° | 0.0° |
| CA3 | CA4 | CA5 | HA5 | 179.8° | 180.0° |
| CA4 | CA5 | CA6 | HA5 | 180.0° | 180.0° |
| CA4 | CA5 | CA6 | HA6 | 179.8° | 179.9° |
| HA4 | CA4 | CA5 | CA6 | 179.8° | 180.0° |
| HA4 | CA4 | CA5 | HA5 | 0.2° | 0.0° |
| HA5 | CA5 | CA6 | HA6 | 0.2° | 0.0° |
| CB1 | CB2 | CB3 | CL1 | 179.9° | 180.0° |
| CB1 | CB2 | CB3 | CB4 | 0.0° | 0.0° |
| CB1 | CB2 | CB3 | HB3 | 180.0° | 180.0° |
| CB2 | CB1 | CB6 | CB5 | 0.0° | 0.5° |
| CB2 | CB1 | CB6 | CL2 | 179.9° | 180.0° |
| CB6 | CB1 | CB2 | CB3 | 0.0° | 0.3° |
| CB6 | CB1 | CB2 | CL1 | 179.9° | 179.7° |
| CB1 | CB6 | CB5 | CB4 | 0.0° | 0.5° |
| CB1 | CB6 | CB5 | CL2 | 179.9° | 179.5° |
| CB1 | CB6 | CB5 | HB5 | 180.0° | 179.7° |
| CB2 | CB3 | CB4 | HB3 | 180.0° | 180.0° |
| CB2 | CB3 | CB4 | CB5 | 0.1° | 0.0° |
| CB2 | CB3 | CB4 | HB4 | 179.9° | 180.0° |
| CL1 | CB2 | CB3 | CB4 | 179.9° | 180.0° |
| CL1 | CB2 | CB3 | HB3 | 0.1° | 0.0° |
| CB3 | CB4 | CB5 | HB4 | 180.0° | 180.0° |
| CB3 | CB4 | CB5 | CB6 | 0.0° | 0.3° |
| CB3 | CB4 | CB5 | HB5 | 180.0° | 179.9° |
| HB3 | CB3 | CB4 | CB5 | 179.9° | 180.0° |
| HB3 | CB3 | CB4 | HB4 | 0.1° | 0.0° |
| CB4 | CB5 | CB6 | HB5 | 180.0° | 179.8° |
| CB4 | CB5 | CB6 | CL2 | 179.9° | 180.0° |
| HB4 | CB4 | CB5 | CB6 | 179.9° | 179.7° |
| HB4 | CB4 | CB5 | HB5 | 0.0° | 0.1° |
| HB5 | CB5 | CB6 | CL2 | 0.1° | 0.2° |
