B9O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | CAV | sing | 1.47Å | 1.46Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | NAM | sing | 1.35Å | 1.35Å | |
| CB | CG1 | sing | 1.53Å | 1.53Å | |
| CB | CG2 | sing | 1.53Å | 1.54Å | |
| CAA | CAB | sing | 1.36Å | 1.38Å | Aromatic |
| CAA | CAF | doub | 1.41Å | 1.34Å | Aromatic |
| CAB | CAC | doub | 1.39Å | 1.38Å | Aromatic |
| CAC | CAD | sing | 1.37Å | 1.38Å | Aromatic |
| CAD | CAE | doub | 1.40Å | 1.32Å | Aromatic |
| CAE | CAF | sing | 1.40Å | 1.35Å | Aromatic |
| CAE | SAG | sing | 1.76Å | 1.59Å | Aromatic |
| CAF | CAI | sing | 1.45Å | 1.35Å | Aromatic |
| CAH | CAI | doub | 1.32Å | 1.34Å | Aromatic |
| CAH | SAG | sing | 1.75Å | 1.63Å | Aromatic |
| CAI | CAJ | sing | 1.51Å | 1.54Å | |
| CAJ | CAK | sing | 1.53Å | 1.57Å | |
| CAK | CAL | sing | 1.53Å | 1.54Å | |
| CAK | NAM | sing | 1.47Å | 1.48Å | |
| CAL | OAU | sing | 1.43Å | 1.43Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| CA | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CG1 | H5 | sing | 1.09Å | 1.10Å | |
| CG1 | H6 | sing | 1.09Å | 1.10Å | |
| CG1 | H7 | sing | 1.09Å | 1.10Å | |
| CG2 | H8 | sing | 1.09Å | 1.10Å | |
| CG2 | H9 | sing | 1.09Å | 1.10Å | |
| CG2 | H10 | sing | 1.09Å | 1.10Å | |
| CAA | H11 | sing | 1.08Å | 1.08Å | |
| CAB | H12 | sing | 1.08Å | 1.08Å | |
| CAC | H13 | sing | 1.08Å | 1.08Å | |
| CAD | H15 | sing | 1.08Å | 1.08Å | |
| CAH | H16 | sing | 1.08Å | 1.08Å | |
| CAJ | H18 | sing | 1.09Å | 1.10Å | |
| CAJ | H19 | sing | 1.09Å | 1.10Å | |
| CAK | H20 | sing | 1.09Å | 1.10Å | |
| CAL | H21 | sing | 1.09Å | 1.10Å | |
| CAL | H22 | sing | 1.09Å | 1.10Å | |
| CAV | H23 | sing | 1.09Å | 1.10Å | |
| CAV | H24 | sing | 1.09Å | 1.10Å | |
| CAV | H25 | sing | 1.09Å | 1.10Å | |
| NAM | H26 | sing | 0.97Å | 1.00Å | |
| OAU | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | CAV | 112.1° | 111.0° |
| N | CA | C | 109.1° | 109.4° |
| N | CA | CB | 111.5° | 109.5° |
| CA | N | H1 | 108.8° | 111.0° |
| N | CA | H3 | 109.7° | 109.5° |
| CAV | N | H1 | 108.8° | 111.0° |
| N | CAV | H23 | 109.5° | 109.5° |
| N | CAV | H24 | 109.4° | 109.5° |
| N | CAV | H25 | 109.5° | 109.5° |
| C | CA | CB | 109.5° | 109.5° |
| CA | C | O | 119.9° | 120.0° |
| CA | C | NAM | 116.2° | 120.0° |
| C | CA | H3 | 108.8° | 109.5° |
| CA | CB | CG1 | 111.3° | 109.5° |
| CA | CB | CG2 | 112.9° | 109.5° |
| CB | CA | H3 | 108.3° | 109.5° |
| CA | CB | H4 | 108.1° | 109.4° |
| O | C | NAM | 123.9° | 120.0° |
| C | NAM | CAK | 121.8° | 120.0° |
| C | NAM | H26 | 119.1° | 120.0° |
| CG1 | CB | CG2 | 107.6° | 109.5° |
| CG1 | CB | H4 | 108.5° | 109.5° |
| CB | CG1 | H5 | 109.5° | 109.5° |
| CB | CG1 | H6 | 109.5° | 109.5° |
| CB | CG1 | H7 | 109.5° | 109.5° |
| CG2 | CB | H4 | 108.3° | 109.5° |
| CB | CG2 | H8 | 109.5° | 109.4° |
| CB | CG2 | H9 | 109.5° | 109.5° |
| CB | CG2 | H10 | 109.5° | 109.4° |
| CAB | CAA | CAF | 121.0° | 120.4° |
| CAA | CAB | CAC | 118.3° | 120.6° |
| CAB | CAA | H11 | 119.5° | 119.8° |
| CAA | CAB | H12 | 120.8° | 119.7° |
| CAA | CAF | CAE | 119.8° | 118.9° |
| CAA | CAF | CAI | 128.2° | 129.3° |
| CAF | CAA | H11 | 119.5° | 119.7° |
| CAB | CAC | CAD | 118.8° | 120.3° |
| CAC | CAB | H12 | 120.9° | 119.7° |
| CAB | CAC | H13 | 120.6° | 119.9° |
| CAC | CAD | CAE | 120.3° | 120.1° |
| CAD | CAC | H13 | 120.6° | 119.9° |
| CAC | CAD | H15 | 119.9° | 120.0° |
| CAD | CAE | CAF | 121.8° | 119.7° |
| CAD | CAE | SAG | 130.0° | 130.6° |
| CAE | CAD | H15 | 119.8° | 119.9° |
| CAF | CAE | SAG | 108.3° | 109.7° |
| CAE | CAF | CAI | 112.0° | 111.8° |
| CAE | SAG | CAH | 98.7° | 92.2° |
| CAF | CAI | CAH | 116.0° | 114.8° |
| CAF | CAI | CAJ | 120.8° | 122.6° |
| CAI | CAH | SAG | 105.0° | 111.4° |
| CAH | CAI | CAJ | 123.2° | 122.5° |
| CAI | CAH | H16 | 127.5° | 124.3° |
| SAG | CAH | H16 | 127.5° | 124.3° |
| CAI | CAJ | CAK | 115.0° | 109.5° |
| CAI | CAJ | H18 | 108.0° | 109.5° |
| CAI | CAJ | H19 | 108.0° | 109.5° |
| CAJ | CAK | CAL | 113.0° | 109.5° |
| CAJ | CAK | NAM | 116.1° | 109.4° |
| CAK | CAJ | H18 | 108.1° | 109.4° |
| CAK | CAJ | H19 | 108.1° | 109.5° |
| CAJ | CAK | H20 | 105.8° | 109.5° |
| CAL | CAK | NAM | 108.4° | 109.4° |
| CAK | CAL | OAU | 109.6° | 109.5° |
| CAL | CAK | H20 | 106.1° | 109.5° |
| CAK | CAL | H21 | 109.4° | 109.5° |
| CAK | CAL | H22 | 109.4° | 109.4° |
| NAM | CAK | H20 | 106.8° | 109.5° |
| CAK | NAM | H26 | 119.1° | 120.1° |
| OAU | CAL | H21 | 109.4° | 109.5° |
| OAU | CAL | H22 | 109.4° | 109.5° |
| CAL | OAU | H27 | 109.5° | 114.0° |
| H5 | CG1 | H6 | 109.5° | 109.5° |
| H5 | CG1 | H7 | 109.4° | 109.5° |
| H6 | CG1 | H7 | 109.5° | 109.5° |
| H8 | CG2 | H9 | 109.5° | 109.5° |
| H8 | CG2 | H10 | 109.4° | 109.5° |
| H9 | CG2 | H10 | 109.5° | 109.5° |
| H18 | CAJ | H19 | 109.5° | 109.5° |
| H21 | CAL | H22 | 109.5° | 109.5° |
| H23 | CAV | H24 | 109.5° | 109.4° |
| H23 | CAV | H25 | 109.5° | 109.5° |
| H24 | CAV | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | CAV | H1 | 120.4° | 124.0° |
| N | CA | C | CB | 122.2° | 120.0° |
| N | CA | C | H3 | 119.6° | 120.0° |
| N | CA | CB | H3 | 120.7° | 120.0° |
| N | CA | C | O | 50.2° | 18.4° |
| N | CA | C | NAM | 131.3° | 161.6° |
| N | CA | CB | CG1 | 70.2° | 61.5° |
| N | CA | CB | CG2 | 168.7° | 58.5° |
| N | CA | CB | H4 | 48.8° | 178.5° |
| CA | N | CAV | H23 | 180.0° | 55.8° |
| CA | N | CAV | H24 | 60.0° | 64.2° |
| CA | N | CAV | H25 | 60.0° | 175.9° |
| CAV | N | CA | C | 123.0° | 135.5° |
| CAV | N | CA | CB | 116.0° | 104.5° |
| CAV | N | CA | H3 | 4.0° | 15.5° |
| N | CAV | H23 | H24 | 120.0° | 120.0° |
| N | CAV | H23 | H25 | 120.0° | 120.1° |
| N | CAV | H24 | H25 | 120.0° | 120.0° |
| C | CA | CB | H3 | 118.5° | 120.0° |
| CA | C | O | NAM | 178.4° | 180.0° |
| C | CA | CB | CG1 | 169.0° | 178.5° |
| C | CA | CB | CG2 | 47.9° | 61.5° |
| CA | C | NAM | CAK | 174.1° | 175.1° |
| C | CA | N | H1 | 2.6° | 11.5° |
| C | CA | CB | H4 | 71.9° | 58.5° |
| CA | C | NAM | H26 | 5.9° | 4.9° |
| CB | CA | C | O | 72.0° | 101.5° |
| CB | CA | C | NAM | 106.5° | 78.4° |
| CA | CB | CG1 | CG2 | 124.2° | 120.0° |
| CA | CB | CG1 | H4 | 118.8° | 120.0° |
| CA | CB | CG2 | H4 | 119.7° | 120.0° |
| CB | CA | N | H1 | 123.6° | 131.5° |
| CA | CB | CG1 | H5 | 180.0° | 55.8° |
| CA | CB | CG1 | H6 | 60.0° | 175.8° |
| CA | CB | CG1 | H7 | 60.0° | 64.2° |
| CA | CB | CG2 | H8 | 180.0° | 64.8° |
| CA | CB | CG2 | H9 | 60.0° | 175.1° |
| CA | CB | CG2 | H10 | 60.0° | 55.1° |
| O | C | NAM | CAK | 4.3° | 4.9° |
| O | C | CA | H3 | 169.7° | 138.4° |
| O | C | NAM | H26 | 175.6° | 175.1° |
| C | NAM | CAK | CAJ | 73.3° | 155.0° |
| C | NAM | CAK | CAL | 158.3° | 85.0° |
| C | NAM | CAK | H26 | 180.0° | 180.0° |
| NAM | C | CA | H3 | 11.7° | 41.6° |
| C | NAM | CAK | H20 | 44.3° | 35.0° |
| CG1 | CB | CG2 | H4 | 117.1° | 120.0° |
| CG1 | CB | CA | H3 | 50.5° | 58.5° |
| CB | CG1 | H5 | H6 | 120.0° | 120.0° |
| CB | CG1 | H5 | H7 | 120.0° | 120.0° |
| CB | CG1 | H6 | H7 | 120.0° | 120.0° |
| CG1 | CB | CG2 | H8 | 56.8° | 175.1° |
| CG1 | CB | CG2 | H9 | 176.9° | 55.1° |
| CG1 | CB | CG2 | H10 | 63.2° | 64.9° |
| CG2 | CB | CA | H3 | 70.6° | 178.5° |
| CG2 | CB | CG1 | H5 | 55.8° | 64.2° |
| CG2 | CB | CG1 | H6 | 64.2° | 55.8° |
| CG2 | CB | CG1 | H7 | 175.8° | 175.8° |
| CB | CG2 | H8 | H9 | 120.0° | 120.0° |
| CB | CG2 | H8 | H10 | 120.0° | 119.9° |
| CB | CG2 | H9 | H10 | 120.0° | 119.9° |
| CAB | CAA | CAF | H11 | 180.0° | 179.7° |
| CAA | CAB | CAC | H12 | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 0.1° | 0.0° |
| CAB | CAA | CAF | CAE | 0.3° | 0.0° |
| CAB | CAA | CAF | CAI | 179.7° | 180.0° |
| CAA | CAB | CAC | H13 | 179.9° | 180.0° |
| CAF | CAA | CAB | CAC | 0.2° | 0.0° |
| CAA | CAF | CAE | CAD | 0.3° | 0.0° |
| CAA | CAF | CAE | CAI | 179.9° | 180.0° |
| CAA | CAF | CAE | SAG | 179.9° | 180.0° |
| CAA | CAF | CAI | CAH | 179.4° | 180.0° |
| CAA | CAF | CAI | CAJ | 0.4° | 0.0° |
| CAF | CAA | CAB | H12 | 179.8° | 180.0° |
| CAB | CAC | CAD | H13 | 180.0° | 180.0° |
| CAB | CAC | CAD | CAE | 0.1° | 0.0° |
| CAC | CAB | CAA | H11 | 179.8° | 179.7° |
| CAB | CAC | CAD | H15 | 179.9° | 179.9° |
| CAC | CAD | CAE | H15 | 180.0° | 179.9° |
| CAC | CAD | CAE | CAF | 0.2° | 0.0° |
| CAC | CAD | CAE | SAG | 179.9° | 179.9° |
| CAD | CAC | CAB | H12 | 179.9° | 180.0° |
| CAD | CAE | CAF | SAG | 179.8° | 179.9° |
| CAD | CAE | CAF | CAI | 179.7° | 180.0° |
| CAD | CAE | SAG | CAH | 179.9° | 180.0° |
| CAE | CAD | CAC | H13 | 179.9° | 180.0° |
| CAE | CAF | CAI | CAH | 0.6° | 0.0° |
| CAF | CAE | SAG | CAH | 0.3° | 0.1° |
| CAE | CAF | CAI | CAJ | 179.5° | 180.0° |
| CAE | CAF | CAA | H11 | 179.7° | 179.7° |
| CAF | CAE | CAD | H15 | 179.8° | 179.9° |
| SAG | CAE | CAF | CAI | 0.1° | 0.1° |
| CAE | SAG | CAH | CAI | 0.6° | 0.1° |
| SAG | CAE | CAD | H15 | 0.1° | 0.1° |
| CAE | SAG | CAH | H16 | 179.4° | 179.9° |
| CAF | CAI | CAH | CAJ | 179.8° | 180.0° |
| CAF | CAI | CAH | SAG | 0.8° | 0.1° |
| CAF | CAI | CAJ | CAK | 92.4° | 85.0° |
| CAI | CAF | CAA | H11 | 0.3° | 0.3° |
| CAF | CAI | CAH | H16 | 179.2° | 179.9° |
| CAF | CAI | CAJ | H18 | 28.4° | 155.1° |
| CAF | CAI | CAJ | H19 | 146.8° | 35.0° |
| CAI | CAH | SAG | H16 | 180.0° | 179.8° |
| CAH | CAI | CAJ | CAK | 87.8° | 95.0° |
| CAH | CAI | CAJ | H18 | 151.4° | 24.9° |
| CAH | CAI | CAJ | H19 | 33.0° | 145.0° |
| SAG | CAH | CAI | CAJ | 179.4° | 179.9° |
| CAI | CAJ | CAK | H18 | 120.8° | 120.0° |
| CAI | CAJ | CAK | H19 | 120.8° | 120.1° |
| CAI | CAJ | CAK | CAL | 78.4° | 175.0° |
| CAI | CAJ | CAK | NAM | 47.8° | 65.0° |
| CAJ | CAI | CAH | H16 | 0.6° | 0.1° |
| CAI | CAJ | H18 | H19 | 117.4° | 120.1° |
| CAI | CAJ | CAK | H20 | 166.0° | 55.0° |
| CAJ | CAK | CAL | NAM | 130.2° | 119.9° |
| CAJ | CAK | CAL | H20 | 115.5° | 120.1° |
| CAJ | CAK | NAM | H20 | 117.7° | 120.0° |
| CAJ | CAK | CAL | OAU | 118.9° | 54.9° |
| CAK | CAJ | H18 | H19 | 117.5° | 119.9° |
| CAJ | CAK | CAL | H21 | 121.1° | 175.0° |
| CAJ | CAK | CAL | H22 | 1.1° | 65.1° |
| CAJ | CAK | NAM | H26 | 106.7° | 25.0° |
| CAL | CAK | NAM | H20 | 113.9° | 120.0° |
| CAK | CAL | OAU | H21 | 120.0° | 120.1° |
| CAK | CAL | OAU | H22 | 120.0° | 119.9° |
| CAL | CAK | CAJ | H18 | 160.8° | 55.1° |
| CAL | CAK | CAJ | H19 | 42.4° | 64.9° |
| CAK | CAL | H21 | H22 | 119.9° | 119.9° |
| CAL | CAK | NAM | H26 | 21.7° | 95.0° |
| CAK | CAL | OAU | H27 | 180.0° | 180.0° |
| NAM | CAK | CAL | OAU | 11.3° | 65.0° |
| NAM | CAK | CAJ | H18 | 73.0° | 175.0° |
| NAM | CAK | CAJ | H19 | 168.6° | 55.0° |
| NAM | CAK | CAL | H21 | 108.8° | 55.1° |
| NAM | CAK | CAL | H22 | 131.3° | 175.0° |
| OAU | CAL | CAK | H20 | 125.6° | 175.0° |
| OAU | CAL | H21 | H22 | 119.9° | 120.0° |
| H1 | N | CA | H3 | 116.4° | 108.5° |
| H1 | N | CAV | H23 | 59.6° | 179.8° |
| H1 | N | CAV | H24 | 179.6° | 59.8° |
| H1 | N | CAV | H25 | 60.4° | 60.1° |
| H3 | CA | CB | H4 | 169.6° | 61.5° |
| H4 | CB | CG1 | H5 | 61.2° | 175.8° |
| H4 | CB | CG1 | H6 | 178.8° | 64.2° |
| H4 | CB | CG1 | H7 | 58.8° | 55.8° |
| H4 | CB | CG2 | H8 | 60.3° | 55.1° |
| H4 | CB | CG2 | H9 | 59.7° | 64.9° |
| H4 | CB | CG2 | H10 | 179.7° | 175.1° |
| H5 | CG1 | H6 | H7 | 120.0° | 120.0° |
| H8 | CG2 | H9 | H10 | 120.0° | 120.0° |
| H11 | CAA | CAB | H12 | 0.2° | 0.3° |
| H12 | CAB | CAC | H13 | 0.1° | 0.0° |
| H13 | CAC | CAD | H15 | 0.1° | 0.0° |
| H18 | CAJ | CAK | H20 | 45.2° | 65.0° |
| H19 | CAJ | CAK | H20 | 73.2° | 175.0° |
| H20 | CAK | CAL | H21 | 5.6° | 64.9° |
| H20 | CAK | CAL | H22 | 114.4° | 55.0° |
| H20 | CAK | NAM | H26 | 135.7° | 145.0° |
| H21 | CAL | OAU | H27 | 60.0° | 60.0° |
| H22 | CAL | OAU | H27 | 60.0° | 60.0° |
| H23 | CAV | H24 | H25 | 120.0° | 119.9° |
