BP7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CA1 | CA2 | doub | 1.39Å | 1.47Å | Aromatic |
CA1 | CA6 | sing | 1.39Å | 1.45Å | Aromatic |
CA1 | CB1 | sing | 1.48Å | 1.50Å | Aromatic |
CA2 | CA3 | sing | 1.38Å | 1.43Å | Aromatic |
CA2 | HA2 | sing | 1.08Å | 1.08Å | |
CA3 | OA3 | sing | 1.36Å | 1.37Å | |
CA3 | CA4 | doub | 1.39Å | 1.45Å | Aromatic |
OA3 | HA3 | sing | 0.97Å | 0.95Å | |
CA4 | OA4 | sing | 1.36Å | 1.43Å | |
CA4 | CA5 | sing | 1.39Å | 1.43Å | Aromatic |
OA4 | HA4 | sing | 0.97Å | 0.95Å | |
CA5 | CA6 | doub | 1.38Å | 1.43Å | Aromatic |
CA5 | HA5 | sing | 1.08Å | 1.08Å | |
CA6 | HA6 | sing | 1.08Å | 1.08Å | |
CB1 | CB2 | sing | 1.39Å | 1.44Å | Aromatic |
CB1 | CB6 | doub | 1.39Å | 1.45Å | Aromatic |
CB2 | CB3 | doub | 1.38Å | 1.42Å | Aromatic |
CB2 | HB2 | sing | 1.08Å | 1.08Å | |
CB3 | CB4 | sing | 1.38Å | 1.42Å | Aromatic |
CB3 | HB3 | sing | 1.08Å | 1.08Å | |
CB4 | CB5 | doub | 1.38Å | 1.42Å | Aromatic |
CB4 | HB4 | sing | 1.08Å | 1.08Å | |
CB5 | CB6 | sing | 1.38Å | 1.42Å | Aromatic |
CB5 | HB5 | sing | 1.08Å | 1.08Å | |
CB6 | HB6 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA2 | CA1 | CA6 | 119.2° | 119.9° |
CA2 | CA1 | CB1 | 118.8° | 120.0° |
CA1 | CA2 | CA3 | 119.5° | 119.9° |
CA1 | CA2 | HA2 | 120.3° | 120.1° |
CA6 | CA1 | CB1 | 121.9° | 120.1° |
CA1 | CA6 | CA5 | 120.3° | 120.1° |
CA1 | CA6 | HA6 | 119.9° | 119.9° |
CA1 | CB1 | CB2 | 121.0° | 120.1° |
CA1 | CB1 | CB6 | 119.9° | 120.1° |
CA3 | CA2 | HA2 | 120.3° | 120.1° |
CA2 | CA3 | OA3 | 119.4° | 120.0° |
CA2 | CA3 | CA4 | 120.3° | 120.0° |
OA3 | CA3 | CA4 | 120.3° | 120.0° |
CA3 | OA3 | HA3 | 109.5° | 106.8° |
CA3 | CA4 | OA4 | 117.2° | 120.0° |
CA3 | CA4 | CA5 | 120.5° | 120.1° |
OA4 | CA4 | CA5 | 122.3° | 119.9° |
CA4 | OA4 | HA4 | 109.5° | 106.8° |
CA4 | CA5 | CA6 | 120.2° | 120.1° |
CA4 | CA5 | HA5 | 119.9° | 119.9° |
CA6 | CA5 | HA5 | 119.9° | 120.0° |
CA5 | CA6 | HA6 | 119.8° | 120.0° |
CB2 | CB1 | CB6 | 119.2° | 119.7° |
CB1 | CB2 | CB3 | 120.0° | 119.9° |
CB1 | CB2 | HB2 | 120.0° | 120.0° |
CB1 | CB6 | CB5 | 119.8° | 119.9° |
CB1 | CB6 | HB6 | 120.1° | 120.1° |
CB3 | CB2 | HB2 | 120.0° | 120.1° |
CB2 | CB3 | CB4 | 120.4° | 120.1° |
CB2 | CB3 | HB3 | 119.8° | 119.9° |
CB4 | CB3 | HB3 | 119.8° | 120.0° |
CB3 | CB4 | CB5 | 120.4° | 120.3° |
CB3 | CB4 | HB4 | 119.8° | 119.9° |
CB5 | CB4 | HB4 | 119.8° | 119.8° |
CB4 | CB5 | CB6 | 120.3° | 120.1° |
CB4 | CB5 | HB5 | 119.8° | 119.9° |
CB6 | CB5 | HB5 | 119.9° | 120.0° |
CB5 | CB6 | HB6 | 120.1° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA2 | CA1 | CA6 | CB1 | 179.1° | 179.9° |
CA1 | CA2 | CA3 | HA2 | 180.0° | 179.7° |
CA1 | CA2 | CA3 | OA3 | 179.7° | 180.0° |
CA1 | CA2 | CA3 | CA4 | 0.0° | 0.6° |
CA2 | CA1 | CA6 | CA5 | 0.3° | 0.0° |
CA2 | CA1 | CA6 | HA6 | 179.7° | 180.0° |
CA2 | CA1 | CB1 | CB2 | 41.5° | 140.1° |
CA2 | CA1 | CB1 | CB6 | 137.4° | 39.7° |
CA6 | CA1 | CA2 | CA3 | 0.3° | 0.3° |
CA6 | CA1 | CA2 | HA2 | 179.8° | 180.0° |
CA1 | CA6 | CA5 | CA4 | 0.0° | 0.0° |
CA1 | CA6 | CA5 | HA6 | 180.0° | 180.0° |
CA1 | CA6 | CA5 | HA5 | 180.0° | 180.0° |
CA6 | CA1 | CB1 | CB2 | 139.4° | 40.0° |
CA6 | CA1 | CB1 | CB6 | 41.7° | 140.3° |
CB1 | CA1 | CA2 | CA3 | 178.9° | 179.8° |
CB1 | CA1 | CA2 | HA2 | 1.1° | 0.0° |
CB1 | CA1 | CA6 | CA5 | 178.8° | 179.9° |
CB1 | CA1 | CA6 | HA6 | 1.2° | 0.0° |
CA1 | CB1 | CB2 | CB6 | 179.0° | 179.7° |
CA1 | CB1 | CB2 | CB3 | 179.2° | 180.0° |
CA1 | CB1 | CB2 | HB2 | 0.8° | 0.0° |
CA1 | CB1 | CB6 | CB5 | 179.3° | 179.8° |
CA1 | CB1 | CB6 | HB6 | 0.8° | 0.3° |
CA2 | CA3 | OA3 | CA4 | 179.7° | 179.5° |
CA2 | CA3 | OA3 | HA3 | 82.7° | 90.0° |
CA2 | CA3 | CA4 | OA4 | 179.4° | 179.8° |
CA2 | CA3 | CA4 | CA5 | 0.3° | 0.6° |
HA2 | CA2 | CA3 | OA3 | 0.3° | 0.2° |
HA2 | CA2 | CA3 | CA4 | 180.0° | 179.7° |
OA3 | CA3 | CA4 | OA4 | 0.3° | 0.3° |
OA3 | CA3 | CA4 | CA5 | 180.0° | 180.0° |
CA4 | CA3 | OA3 | HA3 | 97.6° | 90.5° |
CA3 | CA4 | OA4 | CA5 | 179.7° | 179.7° |
CA3 | CA4 | OA4 | HA4 | 84.0° | 90.4° |
CA3 | CA4 | CA5 | CA6 | 0.3° | 0.3° |
CA3 | CA4 | CA5 | HA5 | 179.7° | 179.8° |
OA4 | CA4 | CA5 | CA6 | 179.4° | 179.9° |
OA4 | CA4 | CA5 | HA5 | 0.6° | 0.1° |
CA5 | CA4 | OA4 | HA4 | 96.2° | 90.0° |
CA4 | CA5 | CA6 | HA5 | 180.0° | 180.0° |
CA4 | CA5 | CA6 | HA6 | 180.0° | 180.0° |
HA5 | CA5 | CA6 | HA6 | 0.0° | 0.0° |
CB1 | CB2 | CB3 | HB2 | 180.0° | 180.0° |
CB1 | CB2 | CB3 | CB4 | 0.0° | 0.0° |
CB1 | CB2 | CB3 | HB3 | 179.9° | 180.0° |
CB2 | CB1 | CB6 | CB5 | 0.3° | 0.5° |
CB2 | CB1 | CB6 | HB6 | 179.8° | 180.0° |
CB6 | CB1 | CB2 | CB3 | 0.2° | 0.3° |
CB6 | CB1 | CB2 | HB2 | 179.8° | 179.8° |
CB1 | CB6 | CB5 | CB4 | 0.2° | 0.5° |
CB1 | CB6 | CB5 | HB6 | 180.0° | 179.5° |
CB1 | CB6 | CB5 | HB5 | 179.8° | 179.7° |
CB2 | CB3 | CB4 | HB3 | 180.0° | 180.0° |
CB2 | CB3 | CB4 | CB5 | 0.0° | 0.0° |
CB2 | CB3 | CB4 | HB4 | 179.9° | 180.0° |
HB2 | CB2 | CB3 | CB4 | 179.9° | 180.0° |
HB2 | CB2 | CB3 | HB3 | 0.1° | 0.0° |
CB3 | CB4 | CB5 | HB4 | 180.0° | 180.0° |
CB3 | CB4 | CB5 | CB6 | 0.0° | 0.2° |
CB3 | CB4 | CB5 | HB5 | 179.9° | 180.0° |
HB3 | CB3 | CB4 | CB5 | 180.0° | 180.0° |
HB3 | CB3 | CB4 | HB4 | 0.1° | 0.0° |
CB4 | CB5 | CB6 | HB5 | 180.0° | 179.8° |
CB4 | CB5 | CB6 | HB6 | 179.8° | 180.0° |
HB4 | CB4 | CB5 | CB6 | 180.0° | 179.7° |
HB4 | CB4 | CB5 | HB5 | 0.0° | 0.0° |
HB5 | CB5 | CB6 | HB6 | 0.2° | 0.2° |