B0H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAQ | sing | 1.51Å | 1.54Å | |
| CAQ | NAK | doub | 1.31Å | 1.33Å | Aromatic |
| CAQ | OAN | sing | 1.34Å | 1.35Å | Aromatic |
| NAK | CAS | sing | 1.34Å | 1.33Å | Aromatic |
| OAN | CAU | sing | 1.35Å | 1.36Å | Aromatic |
| CAS | CAU | doub | 1.36Å | 1.35Å | Aromatic |
| CAS | CAB | sing | 1.51Å | 1.51Å | |
| CAU | CAP | sing | 1.47Å | 1.35Å | |
| NAM | CAP | sing | 1.35Å | 1.36Å | |
| NAM | CAT | sing | 1.39Å | 1.33Å | |
| CAP | OAE | doub | 1.22Å | 1.23Å | |
| NAL | CAT | doub | 1.30Å | 1.34Å | Aromatic |
| NAL | CAR | sing | 1.32Å | 1.35Å | Aromatic |
| CAT | SAO | sing | 1.71Å | 1.70Å | Aromatic |
| CAH | CAR | sing | 1.51Å | 1.55Å | |
| CAH | NAX | sing | 1.47Å | 1.47Å | |
| CAJ | NAX | sing | 1.47Å | 1.47Å | |
| CAJ | CAW | sing | 1.53Å | 1.52Å | |
| CAR | CAF | doub | 1.33Å | 1.34Å | Aromatic |
| CAD | CAW | sing | 1.53Å | 1.53Å | |
| NAX | CAI | sing | 1.47Å | 1.48Å | |
| CAW | CAG | sing | 1.53Å | 1.53Å | |
| SAO | CAF | sing | 1.76Å | 1.67Å | Aromatic |
| CAI | CAV | sing | 1.53Å | 1.54Å | |
| CAG | CAV | sing | 1.53Å | 1.52Å | |
| CAV | CAC | sing | 1.53Å | 1.52Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| CAD | H10 | sing | 1.09Å | 1.10Å | |
| CAD | H11 | sing | 1.09Å | 1.10Å | |
| CAD | H12 | sing | 1.09Å | 1.10Å | |
| CAF | H13 | sing | 1.08Å | 1.08Å | |
| CAG | H14 | sing | 1.09Å | 1.10Å | |
| CAG | H15 | sing | 1.09Å | 1.10Å | |
| CAH | H16 | sing | 1.09Å | 1.10Å | |
| CAH | H17 | sing | 1.09Å | 1.10Å | |
| CAI | H18 | sing | 1.09Å | 1.10Å | |
| CAI | H19 | sing | 1.09Å | 1.10Å | |
| CAJ | H20 | sing | 1.09Å | 1.10Å | |
| CAJ | H21 | sing | 1.09Å | 1.10Å | |
| CAV | H22 | sing | 1.09Å | 1.10Å | |
| CAW | H23 | sing | 1.09Å | 1.10Å | |
| NAM | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAQ | NAK | 125.0° | 125.4° |
| CAA | CAQ | OAN | 124.3° | 125.4° |
| CAQ | CAA | H1 | 109.5° | 109.4° |
| CAQ | CAA | H2 | 109.5° | 109.5° |
| CAQ | CAA | H3 | 109.5° | 109.5° |
| NAK | CAQ | OAN | 110.7° | 109.1° |
| CAQ | NAK | CAS | 106.2° | 109.0° |
| CAQ | OAN | CAU | 105.9° | 107.7° |
| NAK | CAS | CAU | 109.9° | 107.4° |
| NAK | CAS | CAB | 121.9° | 126.3° |
| OAN | CAU | CAS | 107.3° | 106.8° |
| OAN | CAU | CAP | 122.1° | 126.6° |
| CAU | CAS | CAB | 128.2° | 126.3° |
| CAS | CAU | CAP | 130.6° | 126.7° |
| CAS | CAB | H4 | 109.5° | 109.4° |
| CAS | CAB | H5 | 109.5° | 109.5° |
| CAS | CAB | H6 | 109.5° | 109.4° |
| CAU | CAP | NAM | 113.2° | 120.0° |
| CAU | CAP | OAE | 122.8° | 120.0° |
| CAP | NAM | CAT | 121.7° | 120.0° |
| NAM | CAP | OAE | 124.0° | 120.0° |
| CAP | NAM | H24 | 119.2° | 120.0° |
| NAM | CAT | NAL | 121.8° | 125.0° |
| NAM | CAT | SAO | 129.2° | 124.9° |
| CAT | NAM | H24 | 119.2° | 120.0° |
| CAT | NAL | CAR | 113.2° | 116.9° |
| NAL | CAT | SAO | 108.9° | 110.1° |
| NAL | CAR | CAH | 121.7° | 122.7° |
| NAL | CAR | CAF | 115.9° | 114.6° |
| CAT | SAO | CAF | 93.7° | 90.3° |
| CAR | CAH | NAX | 111.3° | 109.5° |
| CAH | CAR | CAF | 122.4° | 122.8° |
| CAR | CAH | H16 | 109.0° | 109.5° |
| CAR | CAH | H17 | 109.0° | 109.5° |
| CAH | NAX | CAJ | 109.0° | 111.0° |
| CAH | NAX | CAI | 108.9° | 111.0° |
| NAX | CAH | H16 | 109.0° | 109.5° |
| NAX | CAH | H17 | 109.0° | 109.4° |
| NAX | CAJ | CAW | 111.3° | 109.5° |
| CAJ | NAX | CAI | 111.1° | 111.2° |
| NAX | CAJ | H20 | 109.0° | 109.5° |
| NAX | CAJ | H21 | 109.0° | 109.4° |
| CAJ | CAW | CAD | 109.1° | 109.5° |
| CAJ | CAW | CAG | 109.5° | 109.3° |
| CAW | CAJ | H20 | 109.0° | 109.5° |
| CAW | CAJ | H21 | 109.0° | 109.5° |
| CAJ | CAW | H23 | 109.7° | 109.5° |
| CAR | CAF | SAO | 108.3° | 108.1° |
| CAR | CAF | H13 | 125.9° | 125.9° |
| CAD | CAW | CAG | 109.3° | 109.5° |
| CAW | CAD | H10 | 109.5° | 109.5° |
| CAW | CAD | H11 | 109.4° | 109.5° |
| CAW | CAD | H12 | 109.5° | 109.5° |
| CAD | CAW | H23 | 109.6° | 109.5° |
| NAX | CAI | CAV | 111.6° | 109.5° |
| NAX | CAI | H18 | 108.9° | 109.5° |
| NAX | CAI | H19 | 108.9° | 109.5° |
| CAW | CAG | CAV | 110.3° | 109.1° |
| CAW | CAG | H14 | 109.3° | 109.5° |
| CAW | CAG | H15 | 109.3° | 109.6° |
| CAG | CAW | H23 | 109.6° | 109.5° |
| SAO | CAF | H13 | 125.8° | 126.0° |
| CAI | CAV | CAG | 108.7° | 109.3° |
| CAI | CAV | CAC | 110.2° | 109.5° |
| CAV | CAI | H18 | 108.9° | 109.4° |
| CAV | CAI | H19 | 108.9° | 109.5° |
| CAI | CAV | H22 | 109.3° | 109.5° |
| CAG | CAV | CAC | 109.6° | 109.5° |
| CAV | CAG | H14 | 109.3° | 109.5° |
| CAV | CAG | H15 | 109.3° | 109.5° |
| CAG | CAV | H22 | 109.5° | 109.5° |
| CAV | CAC | H7 | 109.5° | 109.5° |
| CAV | CAC | H8 | 109.5° | 109.4° |
| CAV | CAC | H9 | 109.4° | 109.5° |
| CAC | CAV | H22 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.4° | 109.5° |
| H4 | CAB | H5 | 109.4° | 109.5° |
| H4 | CAB | H6 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.5° |
| H7 | CAC | H8 | 109.5° | 109.5° |
| H7 | CAC | H9 | 109.5° | 109.5° |
| H8 | CAC | H9 | 109.5° | 109.5° |
| H10 | CAD | H11 | 109.5° | 109.5° |
| H10 | CAD | H12 | 109.5° | 109.5° |
| H11 | CAD | H12 | 109.5° | 109.4° |
| H14 | CAG | H15 | 109.4° | 109.5° |
| H16 | CAH | H17 | 109.5° | 109.5° |
| H18 | CAI | H19 | 109.5° | 109.5° |
| H20 | CAJ | H21 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAQ | NAK | OAN | 177.9° | 179.6° |
| CAA | CAQ | NAK | CAS | 178.8° | 180.0° |
| CAA | CAQ | OAN | CAU | 178.6° | 179.9° |
| CAQ | CAA | H1 | H2 | 120.0° | 120.0° |
| CAQ | CAA | H1 | H3 | 120.0° | 120.0° |
| CAQ | CAA | H2 | H3 | 120.0° | 120.0° |
| NAK | CAQ | OAN | CAU | 0.6° | 0.3° |
| CAQ | NAK | CAS | CAU | 0.8° | 0.2° |
| CAQ | NAK | CAS | CAB | 179.0° | 179.8° |
| NAK | CAQ | CAA | H1 | 0.0° | 90.1° |
| NAK | CAQ | CAA | H2 | 120.0° | 150.0° |
| NAK | CAQ | CAA | H3 | 120.0° | 29.9° |
| OAN | CAQ | NAK | CAS | 0.9° | 0.3° |
| CAQ | OAN | CAU | CAS | 0.1° | 0.2° |
| CAQ | OAN | CAU | CAP | 177.7° | 179.8° |
| OAN | CAQ | CAA | H1 | 177.6° | 90.3° |
| OAN | CAQ | CAA | H2 | 57.6° | 29.6° |
| OAN | CAQ | CAA | H3 | 62.3° | 149.7° |
| NAK | CAS | CAU | OAN | 0.4° | 0.0° |
| NAK | CAS | CAU | CAB | 179.8° | 179.9° |
| NAK | CAS | CAU | CAP | 178.0° | 180.0° |
| NAK | CAS | CAB | H4 | 0.0° | 90.1° |
| NAK | CAS | CAB | H5 | 120.0° | 30.0° |
| NAK | CAS | CAB | H6 | 120.0° | 150.0° |
| OAN | CAU | CAS | CAP | 177.6° | 180.0° |
| OAN | CAU | CAS | CAB | 179.4° | 180.0° |
| OAN | CAU | CAP | NAM | 17.3° | 0.0° |
| OAN | CAU | CAP | OAE | 162.4° | 180.0° |
| CAS | CAU | CAP | NAM | 160.0° | 180.0° |
| CAS | CAU | CAP | OAE | 20.3° | 0.0° |
| CAU | CAS | CAB | H4 | 179.7° | 90.0° |
| CAU | CAS | CAB | H5 | 59.8° | 150.0° |
| CAU | CAS | CAB | H6 | 60.2° | 29.9° |
| CAB | CAS | CAU | CAP | 1.8° | 0.0° |
| CAS | CAB | H4 | H5 | 120.0° | 120.0° |
| CAS | CAB | H4 | H6 | 120.0° | 119.9° |
| CAS | CAB | H5 | H6 | 120.0° | 120.0° |
| CAU | CAP | NAM | OAE | 179.7° | 180.0° |
| CAU | CAP | NAM | CAT | 178.3° | 180.0° |
| CAU | CAP | NAM | H24 | 1.7° | 0.0° |
| CAP | NAM | CAT | H24 | 180.0° | 180.0° |
| CAP | NAM | CAT | NAL | 176.1° | 179.7° |
| CAP | NAM | CAT | SAO | 1.4° | 0.0° |
| CAT | NAM | CAP | OAE | 2.0° | 0.0° |
| NAM | CAT | NAL | SAO | 177.9° | 179.7° |
| NAM | CAT | NAL | CAR | 178.8° | 179.9° |
| NAM | CAT | SAO | CAF | 178.6° | 180.0° |
| OAE | CAP | NAM | H24 | 178.0° | 180.0° |
| CAT | NAL | CAR | CAH | 179.8° | 180.0° |
| CAT | NAL | CAR | CAF | 0.4° | 0.0° |
| NAL | CAT | SAO | CAF | 0.8° | 0.3° |
| NAL | CAT | NAM | H24 | 3.9° | 0.4° |
| CAR | NAL | CAT | SAO | 0.8° | 0.2° |
| NAL | CAR | CAH | CAF | 179.3° | 180.0° |
| NAL | CAR | CAH | NAX | 60.0° | 85.0° |
| NAL | CAR | CAF | SAO | 0.2° | 0.3° |
| NAL | CAR | CAF | H13 | 179.8° | 180.0° |
| NAL | CAR | CAH | H16 | 179.7° | 35.0° |
| NAL | CAR | CAH | H17 | 60.3° | 155.0° |
| CAT | SAO | CAF | CAR | 0.6° | 0.3° |
| CAT | SAO | CAF | H13 | 179.4° | 180.0° |
| SAO | CAT | NAM | H24 | 178.6° | 180.0° |
| CAR | CAH | NAX | H16 | 120.3° | 120.1° |
| CAR | CAH | NAX | H17 | 120.3° | 120.0° |
| CAR | CAH | NAX | CAJ | 175.0° | 169.9° |
| CAR | CAH | NAX | CAI | 63.7° | 65.8° |
| CAH | CAR | CAF | SAO | 179.2° | 179.8° |
| CAH | CAR | CAF | H13 | 0.8° | 0.0° |
| CAR | CAH | H16 | H17 | 119.2° | 120.0° |
| CAH | NAX | CAJ | CAI | 120.0° | 124.1° |
| CAH | NAX | CAJ | CAW | 178.2° | 174.2° |
| NAX | CAH | CAR | CAF | 120.7° | 95.0° |
| CAH | NAX | CAI | CAV | 178.3° | 174.2° |
| NAX | CAH | H16 | H17 | 119.1° | 119.9° |
| CAH | NAX | CAI | H18 | 61.4° | 65.9° |
| CAH | NAX | CAI | H19 | 58.0° | 54.1° |
| CAH | NAX | CAJ | H20 | 57.9° | 54.1° |
| CAH | NAX | CAJ | H21 | 61.6° | 65.8° |
| NAX | CAJ | CAW | H20 | 120.3° | 120.1° |
| NAX | CAJ | CAW | H21 | 120.3° | 120.0° |
| NAX | CAJ | CAW | CAD | 177.2° | 179.1° |
| NAX | CAJ | CAW | CAG | 57.6° | 59.2° |
| CAJ | NAX | CAI | CAV | 58.3° | 61.7° |
| CAJ | NAX | CAH | H16 | 64.8° | 70.0° |
| CAJ | NAX | CAH | H17 | 54.7° | 50.0° |
| CAJ | NAX | CAI | H18 | 178.6° | 58.3° |
| CAJ | NAX | CAI | H19 | 62.1° | 178.3° |
| NAX | CAJ | H20 | H21 | 119.1° | 119.9° |
| NAX | CAJ | CAW | H23 | 62.7° | 60.8° |
| CAJ | CAW | CAD | CAG | 119.7° | 119.8° |
| CAJ | CAW | CAD | H23 | 120.1° | 120.1° |
| CAW | CAJ | NAX | CAI | 58.1° | 61.7° |
| CAJ | CAW | CAG | H23 | 120.4° | 120.0° |
| CAJ | CAW | CAG | CAV | 57.4° | 57.6° |
| CAJ | CAW | CAD | H10 | 180.0° | 60.0° |
| CAJ | CAW | CAD | H11 | 60.0° | 180.0° |
| CAJ | CAW | CAD | H12 | 60.0° | 60.0° |
| CAJ | CAW | CAG | H14 | 62.7° | 177.5° |
| CAJ | CAW | CAG | H15 | 177.6° | 62.3° |
| CAW | CAJ | H20 | H21 | 119.2° | 120.0° |
| CAR | CAF | SAO | H13 | 180.0° | 179.7° |
| CAF | CAR | CAH | H16 | 0.4° | 145.0° |
| CAF | CAR | CAH | H17 | 119.0° | 24.9° |
| CAD | CAW | CAG | H23 | 120.2° | 120.1° |
| CAD | CAW | CAG | CAV | 176.9° | 177.6° |
| CAW | CAD | H10 | H11 | 120.0° | 120.0° |
| CAW | CAD | H10 | H12 | 120.0° | 120.0° |
| CAW | CAD | H11 | H12 | 120.0° | 120.0° |
| CAD | CAW | CAG | H14 | 56.8° | 62.5° |
| CAD | CAW | CAG | H15 | 62.9° | 57.7° |
| CAD | CAW | CAJ | H20 | 56.9° | 60.8° |
| CAD | CAW | CAJ | H21 | 62.5° | 59.2° |
| NAX | CAI | CAV | H18 | 120.3° | 120.0° |
| NAX | CAI | CAV | H19 | 120.3° | 120.1° |
| NAX | CAI | CAV | CAG | 57.4° | 59.1° |
| NAX | CAI | CAV | CAC | 177.6° | 179.1° |
| CAI | NAX | CAH | H16 | 56.6° | 54.3° |
| CAI | NAX | CAH | H17 | 176.0° | 174.2° |
| NAX | CAI | H18 | H19 | 119.0° | 120.0° |
| CAI | NAX | CAJ | H20 | 62.2° | 178.2° |
| CAI | NAX | CAJ | H21 | 178.4° | 58.3° |
| NAX | CAI | CAV | H22 | 62.1° | 60.8° |
| CAW | CAG | CAV | CAI | 57.0° | 57.6° |
| CAW | CAG | CAV | H14 | 120.1° | 119.9° |
| CAW | CAG | CAV | H15 | 120.1° | 119.9° |
| CAW | CAG | CAV | CAC | 177.5° | 177.6° |
| CAG | CAW | CAD | H10 | 60.3° | 179.8° |
| CAG | CAW | CAD | H11 | 59.7° | 60.2° |
| CAG | CAW | CAD | H12 | 179.7° | 59.8° |
| CAW | CAG | H14 | H15 | 119.6° | 120.2° |
| CAG | CAW | CAJ | H20 | 62.7° | 179.2° |
| CAG | CAW | CAJ | H21 | 177.8° | 60.8° |
| CAW | CAG | CAV | H22 | 62.4° | 62.3° |
| CAI | CAV | CAG | CAC | 120.6° | 120.0° |
| CAI | CAV | CAG | H22 | 119.4° | 120.0° |
| CAI | CAV | CAC | H22 | 120.3° | 120.1° |
| CAI | CAV | CAC | H7 | 180.0° | 179.9° |
| CAI | CAV | CAC | H8 | 60.0° | 60.1° |
| CAI | CAV | CAC | H9 | 60.0° | 59.8° |
| CAI | CAV | CAG | H14 | 63.2° | 177.6° |
| CAI | CAV | CAG | H15 | 177.1° | 62.3° |
| CAV | CAI | H18 | H19 | 119.0° | 120.0° |
| CAG | CAV | CAC | H22 | 120.1° | 120.0° |
| CAG | CAV | CAC | H7 | 60.3° | 60.0° |
| CAG | CAV | CAC | H8 | 179.7° | 180.0° |
| CAG | CAV | CAC | H9 | 59.7° | 60.0° |
| CAV | CAG | H14 | H15 | 119.6° | 120.1° |
| CAG | CAV | CAI | H18 | 177.7° | 60.8° |
| CAG | CAV | CAI | H19 | 62.9° | 179.2° |
| CAV | CAG | CAW | H23 | 62.9° | 62.4° |
| CAV | CAC | H7 | H8 | 120.0° | 120.0° |
| CAV | CAC | H7 | H9 | 120.0° | 120.0° |
| CAV | CAC | H8 | H9 | 120.0° | 120.0° |
| CAC | CAV | CAG | H14 | 57.4° | 62.5° |
| CAC | CAV | CAG | H15 | 62.3° | 57.7° |
| CAC | CAV | CAI | H18 | 62.1° | 59.1° |
| CAC | CAV | CAI | H19 | 57.2° | 60.8° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAC | H8 | H9 | 120.0° | 120.0° |
| H7 | CAC | CAV | H22 | 59.8° | 60.0° |
| H8 | CAC | CAV | H22 | 60.3° | 60.0° |
| H9 | CAC | CAV | H22 | 179.8° | 179.9° |
| H10 | CAD | H11 | H12 | 120.0° | 120.0° |
| H10 | CAD | CAW | H23 | 59.8° | 60.1° |
| H11 | CAD | CAW | H23 | 179.9° | 59.9° |
| H12 | CAD | CAW | H23 | 60.1° | 179.9° |
| H14 | CAG | CAV | H22 | 177.5° | 57.6° |
| H14 | CAG | CAW | H23 | 177.0° | 57.5° |
| H15 | CAG | CAV | H22 | 57.7° | 177.7° |
| H15 | CAG | CAW | H23 | 57.2° | 177.7° |
| H18 | CAI | CAV | H22 | 58.2° | 179.2° |
| H19 | CAI | CAV | H22 | 177.6° | 59.3° |
| H20 | CAJ | CAW | H23 | 177.0° | 59.2° |
| H21 | CAJ | CAW | H23 | 57.5° | 179.2° |
