BHX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C2 | doub | 1.21Å | 1.24Å | |
| C2 | O2 | sing | 1.34Å | 1.25Å | |
| C2 | C4 | sing | 1.51Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.48Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | P6 | sing | 1.82Å | 1.78Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| P6 | O61 | sing | 1.61Å | 1.56Å | |
| P6 | O6 | doub | 1.48Å | 1.47Å | |
| P6 | C1 | sing | 1.82Å | 1.81Å | |
| C1 | CA | sing | 1.53Å | 1.56Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| C | OC | sing | 1.34Å | 1.30Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.51Å | 1.51Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| CD | OE2 | sing | 1.34Å | 1.26Å | |
| CD | OE1 | doub | 1.21Å | 1.25Å | |
| OE2 | H12 | sing | 0.97Å | 0.95Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å | |
| O61 | H14 | sing | 0.97Å | 0.95Å | |
| OC | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C2 | O2 | 117.8° | 120.1° |
| O3 | C2 | C4 | 125.1° | 120.0° |
| O2 | C2 | C4 | 117.1° | 120.0° |
| C2 | O2 | H13 | 109.5° | 117.0° |
| C2 | C4 | C5 | 109.8° | 109.5° |
| C2 | C4 | H4 | 109.4° | 109.5° |
| C2 | C4 | H4A | 109.3° | 109.5° |
| C5 | C4 | H4 | 109.4° | 109.5° |
| C5 | C4 | H4A | 109.3° | 109.5° |
| C4 | C5 | P6 | 111.0° | 109.5° |
| C4 | C5 | H5 | 109.0° | 109.5° |
| C4 | C5 | H5A | 108.6° | 109.5° |
| H4 | C4 | H4A | 109.7° | 109.4° |
| P6 | C5 | H5 | 109.0° | 109.5° |
| P6 | C5 | H5A | 108.6° | 109.4° |
| C5 | P6 | O61 | 111.7° | 109.5° |
| C5 | P6 | O6 | 105.2° | 109.5° |
| C5 | P6 | C1 | 113.7° | 109.5° |
| H5 | C5 | H5A | 110.7° | 109.4° |
| O61 | P6 | O6 | 111.5° | 109.5° |
| O61 | P6 | C1 | 109.9° | 109.5° |
| P6 | O61 | H14 | 109.5° | 114.0° |
| O6 | P6 | C1 | 104.6° | 109.4° |
| P6 | C1 | CA | 114.1° | 109.5° |
| P6 | C1 | H1 | 107.9° | 109.5° |
| P6 | C1 | H1A | 106.9° | 109.5° |
| CA | C1 | H1 | 108.0° | 109.4° |
| CA | C1 | H1A | 106.9° | 109.5° |
| C1 | CA | C | 111.0° | 109.4° |
| C1 | CA | CB | 113.9° | 109.5° |
| C1 | CA | HA | 104.9° | 109.5° |
| H1 | C1 | H1A | 113.2° | 109.4° |
| C | CA | CB | 108.4° | 109.4° |
| C | CA | HA | 110.8° | 109.4° |
| CA | C | O | 122.1° | 120.0° |
| CA | C | OC | 118.3° | 120.0° |
| CB | CA | HA | 107.8° | 109.5° |
| CA | CB | CG | 107.6° | 109.5° |
| CA | CB | HB | 110.1° | 109.5° |
| CA | CB | HBA | 110.5° | 109.5° |
| O | C | OC | 119.6° | 120.0° |
| C | OC | H15 | 109.5° | 117.1° |
| CG | CB | HB | 110.1° | 109.5° |
| CG | CB | HBA | 110.5° | 109.4° |
| CB | CG | CD | 111.3° | 109.5° |
| CB | CG | HG | 108.8° | 109.5° |
| CB | CG | HGA | 108.4° | 109.5° |
| HB | CB | HBA | 108.1° | 109.5° |
| CD | CG | HG | 108.9° | 109.5° |
| CD | CG | HGA | 108.5° | 109.4° |
| CG | CD | OE2 | 120.1° | 120.0° |
| CG | CD | OE1 | 116.7° | 120.0° |
| HG | CG | HGA | 110.9° | 109.5° |
| OE2 | CD | OE1 | 123.0° | 120.0° |
| CD | OE2 | H12 | 109.5° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C2 | O2 | C4 | 177.4° | 179.7° |
| O3 | C2 | C4 | C5 | 0.1° | 0.0° |
| O3 | C2 | C4 | H4 | 119.9° | 120.0° |
| O3 | C2 | C4 | H4A | 120.0° | 120.0° |
| O3 | C2 | O2 | H13 | 0.0° | 0.0° |
| O2 | C2 | C4 | C5 | 177.3° | 179.7° |
| O2 | C2 | C4 | H4 | 57.3° | 60.3° |
| O2 | C2 | C4 | H4A | 62.8° | 59.7° |
| C2 | C4 | C5 | H4 | 120.0° | 120.0° |
| C2 | C4 | C5 | H4A | 119.9° | 120.0° |
| C2 | C4 | H4 | H4A | 119.9° | 120.0° |
| C2 | C4 | C5 | P6 | 154.4° | 180.0° |
| C2 | C4 | C5 | H5 | 85.6° | 60.0° |
| C2 | C4 | C5 | H5A | 35.1° | 60.0° |
| C4 | C2 | O2 | H13 | 177.4° | 179.7° |
| C5 | C4 | H4 | H4A | 119.9° | 120.0° |
| C4 | C5 | P6 | H5 | 120.0° | 120.0° |
| C4 | C5 | P6 | H5A | 119.4° | 120.0° |
| C4 | C5 | H5 | H5A | 119.4° | 120.0° |
| C4 | C5 | P6 | O61 | 68.9° | 65.0° |
| C4 | C5 | P6 | O6 | 170.0° | 55.0° |
| C4 | C5 | P6 | C1 | 56.2° | 175.0° |
| H4 | C4 | C5 | P6 | 34.4° | 60.0° |
| H4 | C4 | C5 | H5 | 154.4° | 180.0° |
| H4 | C4 | C5 | H5A | 84.9° | 60.0° |
| H4A | C4 | C5 | P6 | 85.7° | 60.0° |
| H4A | C4 | C5 | H5 | 34.3° | 60.0° |
| H4A | C4 | C5 | H5A | 155.0° | 180.0° |
| P6 | C5 | H5 | H5A | 119.4° | 120.0° |
| C5 | P6 | O61 | O6 | 117.4° | 120.0° |
| C5 | P6 | O61 | C1 | 127.2° | 120.0° |
| C5 | P6 | O6 | C1 | 120.1° | 120.0° |
| C5 | P6 | C1 | CA | 145.3° | 175.0° |
| C5 | P6 | C1 | H1 | 94.7° | 55.0° |
| C5 | P6 | C1 | H1A | 27.4° | 65.0° |
| C5 | P6 | O61 | H14 | 89.9° | 60.0° |
| H5 | C5 | P6 | O61 | 51.1° | 175.0° |
| H5 | C5 | P6 | O6 | 70.0° | 65.0° |
| H5 | C5 | P6 | C1 | 176.2° | 55.0° |
| H5A | C5 | P6 | O61 | 171.7° | 55.0° |
| H5A | C5 | P6 | O6 | 50.7° | 175.0° |
| H5A | C5 | P6 | C1 | 63.1° | 65.0° |
| O61 | P6 | O6 | C1 | 118.7° | 120.0° |
| O61 | P6 | C1 | CA | 19.3° | 65.0° |
| O61 | P6 | C1 | H1 | 139.3° | 175.0° |
| O61 | P6 | C1 | H1A | 98.7° | 55.0° |
| O6 | P6 | C1 | CA | 100.5° | 55.0° |
| O6 | P6 | C1 | H1 | 19.5° | 65.0° |
| O6 | P6 | C1 | H1A | 141.6° | 175.0° |
| O6 | P6 | O61 | H14 | 152.7° | 180.0° |
| P6 | C1 | CA | H1 | 120.0° | 120.0° |
| P6 | C1 | CA | H1A | 117.9° | 120.1° |
| P6 | C1 | H1 | H1A | 118.1° | 120.0° |
| P6 | C1 | CA | C | 68.1° | 75.0° |
| P6 | C1 | CA | CB | 169.2° | 165.0° |
| P6 | C1 | CA | HA | 51.6° | 44.9° |
| C1 | P6 | O61 | H14 | 37.3° | 60.0° |
| CA | C1 | H1 | H1A | 118.1° | 120.0° |
| C1 | CA | C | CB | 125.8° | 120.0° |
| C1 | CA | C | HA | 116.2° | 120.0° |
| C1 | CA | CB | HA | 115.9° | 120.1° |
| C1 | CA | C | O | 28.4° | 0.0° |
| C1 | CA | C | OC | 153.6° | 180.0° |
| C1 | CA | CB | CG | 52.3° | 175.0° |
| C1 | CA | CB | HB | 172.3° | 55.0° |
| C1 | CA | CB | HBA | 68.4° | 65.0° |
| H1 | C1 | CA | C | 171.9° | 165.0° |
| H1 | C1 | CA | CB | 49.2° | 45.0° |
| H1 | C1 | CA | HA | 68.4° | 75.0° |
| H1A | C1 | CA | C | 49.8° | 45.1° |
| H1A | C1 | CA | CB | 72.8° | 74.9° |
| H1A | C1 | CA | HA | 169.6° | 165.0° |
| C | CA | CB | HA | 120.0° | 120.0° |
| CA | C | O | OC | 178.0° | 180.0° |
| C | CA | CB | CG | 71.8° | 65.0° |
| C | CA | CB | HB | 48.2° | 175.0° |
| C | CA | CB | HBA | 167.5° | 55.0° |
| CA | C | OC | H15 | 178.1° | 180.0° |
| CB | CA | C | O | 97.3° | 120.0° |
| CB | CA | C | OC | 80.7° | 60.0° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.7° | 120.1° |
| CA | CB | HB | HBA | 120.7° | 120.1° |
| CA | CB | CG | CD | 175.1° | 180.0° |
| CA | CB | CG | HG | 64.9° | 60.0° |
| CA | CB | CG | HGA | 55.9° | 60.0° |
| HA | CA | C | O | 144.6° | 120.0° |
| HA | CA | C | OC | 37.4° | 60.0° |
| HA | CA | CB | CG | 168.2° | 55.0° |
| HA | CA | CB | HB | 71.8° | 65.0° |
| HA | CA | CB | HBA | 47.5° | 175.0° |
| O | C | OC | H15 | 0.0° | 0.1° |
| CG | CB | HB | HBA | 120.7° | 120.0° |
| CB | CG | CD | HG | 120.0° | 120.0° |
| CB | CG | CD | HGA | 119.2° | 120.0° |
| CB | CG | HG | HGA | 119.2° | 120.0° |
| CB | CG | CD | OE2 | 19.3° | 180.0° |
| CB | CG | CD | OE1 | 165.5° | 0.0° |
| HB | CB | CG | CD | 55.1° | 60.0° |
| HB | CB | CG | HG | 175.1° | 180.0° |
| HB | CB | CG | HGA | 64.1° | 60.0° |
| HBA | CB | CG | CD | 64.2° | 60.0° |
| HBA | CB | CG | HG | 55.8° | 60.0° |
| HBA | CB | CG | HGA | 176.6° | 179.9° |
| CD | CG | HG | HGA | 119.3° | 120.0° |
| CG | CD | OE2 | OE1 | 174.9° | 180.0° |
| CG | CD | OE2 | H12 | 174.9° | 180.0° |
| HG | CG | CD | OE2 | 139.3° | 60.0° |
| HG | CG | CD | OE1 | 45.5° | 120.0° |
| HGA | CG | CD | OE2 | 99.9° | 60.0° |
| HGA | CG | CD | OE1 | 75.3° | 120.0° |
| OE1 | CD | OE2 | H12 | 0.0° | 0.0° |
