B2P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | doub | 1.21Å | 1.25Å | |
| O | C | sing | 1.34Å | 1.26Å | |
| C | CA | sing | 1.51Å | 1.55Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CA | CM | sing | 1.53Å | 1.50Å | |
| CA | BR | sing | 1.97Å | 1.60Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| CB | H2 | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CM | H5 | sing | 1.09Å | 1.10Å | |
| CM | H6 | sing | 1.09Å | 1.10Å | |
| CM | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 114.4° | 119.9° |
| OXT | C | CA | 123.3° | 120.0° |
| O | C | CA | 122.2° | 120.1° |
| C | O | H1 | 109.5° | 117.0° |
| C | CA | CB | 103.0° | 109.5° |
| C | CA | CM | 109.0° | 109.5° |
| C | CA | BR | 121.0° | 109.5° |
| CB | CA | CM | 98.4° | 109.5° |
| CB | CA | BR | 115.8° | 109.5° |
| CA | CB | H2 | 109.5° | 109.5° |
| CA | CB | H3 | 109.5° | 109.5° |
| CA | CB | H4 | 109.5° | 109.4° |
| CM | CA | BR | 107.2° | 109.4° |
| CA | CM | H5 | 109.5° | 109.4° |
| CA | CM | H6 | 109.5° | 109.4° |
| CA | CM | H7 | 109.5° | 109.4° |
| H2 | CB | H3 | 109.5° | 109.5° |
| H2 | CB | H4 | 109.5° | 109.5° |
| H3 | CB | H4 | 109.5° | 109.5° |
| H5 | CM | H6 | 109.5° | 109.5° |
| H5 | CM | H7 | 109.5° | 109.5° |
| H6 | CM | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 176.7° | 179.7° |
| OXT | C | CA | CB | 63.9° | 5.0° |
| OXT | C | CA | CM | 167.7° | 115.0° |
| OXT | C | CA | BR | 67.4° | 125.0° |
| OXT | C | O | H1 | 0.0° | 0.0° |
| O | C | CA | CB | 112.5° | 174.7° |
| O | C | CA | CM | 8.7° | 65.3° |
| O | C | CA | BR | 116.2° | 54.7° |
| C | CA | CB | CM | 111.8° | 120.0° |
| C | CA | CB | BR | 134.3° | 120.0° |
| C | CA | CM | BR | 132.6° | 120.0° |
| CA | C | O | H1 | 176.7° | 179.7° |
| C | CA | CB | H2 | 180.0° | 59.9° |
| C | CA | CB | H3 | 60.0° | 180.0° |
| C | CA | CB | H4 | 60.0° | 60.0° |
| C | CA | CM | H5 | 180.0° | 59.9° |
| C | CA | CM | H6 | 60.0° | 180.0° |
| C | CA | CM | H7 | 60.0° | 60.0° |
| CB | CA | CM | BR | 120.5° | 120.0° |
| CA | CB | H2 | H3 | 120.0° | 120.1° |
| CA | CB | H2 | H4 | 120.0° | 119.9° |
| CA | CB | H3 | H4 | 120.0° | 119.9° |
| CB | CA | CM | H5 | 73.0° | 180.0° |
| CB | CA | CM | H6 | 166.9° | 60.0° |
| CB | CA | CM | H7 | 47.0° | 60.0° |
| CM | CA | CB | H2 | 68.2° | 60.1° |
| CM | CA | CB | H3 | 51.8° | 60.0° |
| CM | CA | CB | H4 | 171.8° | 180.0° |
| CA | CM | H5 | H6 | 120.0° | 120.0° |
| CA | CM | H5 | H7 | 120.0° | 119.9° |
| CA | CM | H6 | H7 | 120.0° | 120.0° |
| BR | CA | CB | H2 | 45.7° | 180.0° |
| BR | CA | CB | H3 | 165.7° | 59.9° |
| BR | CA | CB | H4 | 74.3° | 60.0° |
| BR | CA | CM | H5 | 47.4° | 60.0° |
| BR | CA | CM | H6 | 72.6° | 60.0° |
| BR | CA | CM | H7 | 167.4° | 180.0° |
| H2 | CB | H3 | H4 | 120.0° | 120.0° |
| H5 | CM | H6 | H7 | 120.0° | 120.1° |
