BP5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C12 | sing | 1.51Å | 1.58Å | |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.42Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | N2 | sing | 1.33Å | 1.37Å | Aromatic |
| C6 | C3 | sing | 1.48Å | 1.38Å | |
| C5 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | CA | sing | 1.53Å | 1.51Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.27Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C9 | C8 | 123.0° | 120.3° |
| C12 | C9 | C11 | 117.3° | 120.3° |
| C9 | C12 | CA | 116.2° | 109.5° |
| C9 | C12 | H121 | 107.8° | 109.4° |
| C9 | C12 | H122 | 107.8° | 109.5° |
| C8 | C9 | C11 | 119.6° | 119.4° |
| C9 | C8 | C7 | 117.4° | 118.5° |
| C9 | C8 | H8 | 121.3° | 120.7° |
| C9 | C11 | N2 | 123.4° | 120.9° |
| C9 | C11 | H11 | 118.3° | 119.6° |
| C7 | C8 | H8 | 121.3° | 120.8° |
| C8 | C7 | C6 | 119.9° | 119.1° |
| C8 | C7 | H7 | 120.0° | 120.4° |
| C6 | C7 | H7 | 120.0° | 120.5° |
| C7 | C6 | N2 | 121.0° | 120.5° |
| C7 | C6 | C3 | 119.6° | 119.7° |
| N2 | C6 | C3 | 118.7° | 119.7° |
| C6 | N2 | C11 | 118.6° | 121.6° |
| C6 | C3 | C2 | 124.9° | 119.8° |
| C6 | C3 | N1 | 115.5° | 119.7° |
| C1 | C5 | C4 | 119.1° | 119.4° |
| C1 | C5 | H5 | 120.5° | 120.3° |
| C5 | C1 | C2 | 117.9° | 118.5° |
| C5 | C1 | H1 | 121.0° | 120.7° |
| C4 | C5 | H5 | 120.5° | 120.3° |
| C5 | C4 | N1 | 121.6° | 120.9° |
| C5 | C4 | H4 | 119.2° | 119.6° |
| N1 | C4 | H4 | 119.2° | 119.6° |
| C4 | N1 | C3 | 121.4° | 121.6° |
| C2 | C3 | N1 | 118.9° | 120.5° |
| C3 | C2 | C1 | 120.9° | 119.1° |
| C3 | C2 | H3 | 119.5° | 120.4° |
| C1 | C2 | H3 | 119.5° | 120.4° |
| C2 | C1 | H1 | 121.0° | 120.8° |
| CA | C12 | H121 | 107.8° | 109.5° |
| CA | C12 | H122 | 107.7° | 109.5° |
| C12 | CA | C | 107.2° | 109.5° |
| C12 | CA | N | 103.8° | 109.5° |
| C12 | CA | HA | 111.3° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| N2 | C11 | H11 | 118.3° | 119.5° |
| C | CA | N | 111.7° | 109.5° |
| C | CA | HA | 110.8° | 109.4° |
| CA | C | O | 116.4° | 120.0° |
| CA | C | OXT | 118.0° | 120.0° |
| N | CA | HA | 111.8° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| O | C | OXT | 125.6° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C9 | C8 | C11 | 176.2° | 179.7° |
| C12 | C9 | C8 | C7 | 177.2° | 180.0° |
| C12 | C9 | C8 | H8 | 2.8° | 0.0° |
| C9 | C12 | CA | H121 | 121.0° | 120.0° |
| C9 | C12 | CA | H122 | 121.0° | 120.0° |
| C9 | C12 | H121 | H122 | 116.9° | 120.0° |
| C12 | C9 | C11 | N2 | 177.4° | 179.7° |
| C12 | C9 | C11 | H11 | 2.6° | 0.0° |
| C9 | C12 | CA | C | 166.0° | 175.0° |
| C9 | C12 | CA | N | 75.7° | 65.0° |
| C9 | C12 | CA | HA | 44.7° | 55.0° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.8° | 0.0° |
| C9 | C8 | C7 | H7 | 179.2° | 180.0° |
| C8 | C9 | C12 | CA | 42.1° | 90.0° |
| C8 | C9 | C12 | H121 | 78.9° | 150.0° |
| C8 | C9 | C12 | H122 | 163.1° | 30.0° |
| C8 | C9 | C11 | N2 | 1.0° | 0.6° |
| C8 | C9 | C11 | H11 | 179.1° | 179.7° |
| C11 | C9 | C8 | C7 | 1.0° | 0.3° |
| C11 | C9 | C8 | H8 | 179.0° | 179.7° |
| C9 | C11 | N2 | C6 | 1.0° | 0.6° |
| C11 | C9 | C12 | CA | 141.6° | 89.7° |
| C11 | C9 | C12 | H121 | 97.4° | 30.3° |
| C11 | C9 | C12 | H122 | 20.6° | 150.3° |
| C9 | C11 | N2 | H11 | 180.0° | 179.7° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | N2 | 2.8° | 0.0° |
| C8 | C7 | C6 | C3 | 173.8° | 180.0° |
| H8 | C8 | C7 | C6 | 179.2° | 180.0° |
| H8 | C8 | C7 | H7 | 0.8° | 0.0° |
| C7 | C6 | N2 | C3 | 171.1° | 180.0° |
| C7 | C6 | C3 | C2 | 23.9° | 180.0° |
| C7 | C6 | C3 | N1 | 146.5° | 0.0° |
| C7 | C6 | N2 | C11 | 2.9° | 0.3° |
| H7 | C7 | C6 | N2 | 177.2° | 180.0° |
| H7 | C7 | C6 | C3 | 6.2° | 0.0° |
| N2 | C6 | C3 | C2 | 164.9° | 0.0° |
| N2 | C6 | C3 | N1 | 24.7° | 180.0° |
| C6 | N2 | C11 | H11 | 179.0° | 179.7° |
| C6 | C3 | N1 | C4 | 174.8° | 180.0° |
| C6 | C3 | C2 | N1 | 170.1° | 180.0° |
| C6 | C3 | C2 | C1 | 173.5° | 180.0° |
| C6 | C3 | C2 | H3 | 6.4° | 0.1° |
| C3 | C6 | N2 | C11 | 174.0° | 179.7° |
| C1 | C5 | C4 | H5 | 180.0° | 179.6° |
| C1 | C5 | C4 | N1 | 0.9° | 0.1° |
| C1 | C5 | C4 | H4 | 179.1° | 180.0° |
| C5 | C1 | C2 | C3 | 0.9° | 0.0° |
| C5 | C1 | C2 | H1 | 180.0° | 180.0° |
| C5 | C1 | C2 | H3 | 179.1° | 179.9° |
| C5 | C4 | N1 | H4 | 180.0° | 179.9° |
| C5 | C4 | N1 | C3 | 1.7° | 0.1° |
| C4 | C5 | C1 | C2 | 1.3° | 0.1° |
| C4 | C5 | C1 | H1 | 178.7° | 180.0° |
| H5 | C5 | C4 | N1 | 179.1° | 179.7° |
| H5 | C5 | C4 | H4 | 0.9° | 0.4° |
| H5 | C5 | C1 | C2 | 178.8° | 179.7° |
| H5 | C5 | C1 | H1 | 1.3° | 0.4° |
| C4 | N1 | C3 | C2 | 3.8° | 0.0° |
| H4 | C4 | N1 | C3 | 178.3° | 180.0° |
| C3 | C2 | C1 | H3 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 179.1° | 180.0° |
| N1 | C3 | C2 | C1 | 3.5° | 0.0° |
| N1 | C3 | C2 | H3 | 176.5° | 180.0° |
| H3 | C2 | C1 | H1 | 0.9° | 0.0° |
| CA | C12 | H121 | H122 | 116.9° | 120.0° |
| C12 | CA | C | N | 113.1° | 120.0° |
| C12 | CA | C | HA | 121.6° | 120.0° |
| C12 | CA | N | HA | 120.0° | 120.0° |
| C12 | CA | C | O | 50.6° | 100.0° |
| C12 | CA | C | OXT | 127.4° | 80.0° |
| C12 | CA | N | H | 180.0° | 176.1° |
| C12 | CA | N | H2 | 60.0° | 60.0° |
| H121 | C12 | CA | C | 45.0° | 55.0° |
| H121 | C12 | CA | N | 163.3° | 175.0° |
| H121 | C12 | CA | HA | 76.3° | 65.0° |
| H122 | C12 | CA | C | 73.0° | 65.0° |
| H122 | C12 | CA | N | 45.3° | 55.0° |
| H122 | C12 | CA | HA | 165.7° | 175.0° |
| C | CA | N | HA | 124.8° | 120.0° |
| CA | C | O | OXT | 177.8° | 180.0° |
| CA | C | OXT | HXT | 177.8° | 180.0° |
| C | CA | N | H | 64.8° | 63.9° |
| C | CA | N | H2 | 55.2° | 60.0° |
| N | CA | C | O | 163.7° | 20.0° |
| N | CA | C | OXT | 14.3° | 160.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| HA | CA | C | O | 70.9° | 140.0° |
| HA | CA | C | OXT | 111.0° | 40.0° |
| HA | CA | N | H | 60.0° | 56.1° |
| HA | CA | N | H2 | 180.0° | 180.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
