B6Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAW | doub | 1.40Å | 1.40Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAW | CAH | sing | 1.39Å | 1.40Å | Aromatic |
| CAW | CAU | sing | 1.48Å | 1.40Å | |
| OAD | CAU | doub | 1.22Å | 1.23Å | |
| CAU | CBB | sing | 1.41Å | 1.35Å | |
| CBB | SAT | sing | 1.76Å | 1.70Å | Aromatic |
| CBB | CAV | doub | 1.38Å | 1.35Å | Aromatic |
| SAT | CBA | sing | 1.71Å | 1.67Å | Aromatic |
| CAV | NAC | sing | 1.39Å | 1.34Å | |
| CAV | NAQ | sing | 1.31Å | 1.35Å | Aromatic |
| CBA | NAQ | doub | 1.30Å | 1.34Å | Aromatic |
| CBA | NAR | sing | 1.38Å | 1.34Å | |
| CAP | CAN | sing | 1.53Å | 1.55Å | |
| CAP | NBD | sing | 1.47Å | 1.48Å | |
| OAS | CAZ | sing | 1.36Å | 1.37Å | |
| OAS | CAA | sing | 1.43Å | 1.44Å | |
| NAR | CAY | sing | 1.40Å | 1.35Å | |
| CAZ | CAY | doub | 1.39Å | 1.40Å | Aromatic |
| CAZ | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| CAY | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| CAN | NBC | sing | 1.47Å | 1.48Å | |
| CAL | CAX | doub | 1.39Å | 1.40Å | Aromatic |
| CAK | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAX | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAX | NBD | sing | 1.40Å | 1.35Å | |
| NBD | CAO | sing | 1.47Å | 1.48Å | |
| NBC | CAM | sing | 1.47Å | 1.50Å | |
| NBC | CAB | sing | 1.47Å | 1.48Å | |
| CAM | CAO | sing | 1.53Å | 1.46Å | |
| CAO | H1 | sing | 1.09Å | 1.10Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAP | H11 | sing | 1.09Å | 1.10Å | |
| CAJ | H17 | sing | 1.08Å | 1.08Å | |
| CAK | H18 | sing | 1.08Å | 1.08Å | |
| NAR | H19 | sing | 0.97Å | 1.00Å | |
| NAC | H20 | sing | 0.97Å | 1.00Å | |
| NAC | H21 | sing | 0.97Å | 1.00Å | |
| CAH | H22 | sing | 1.08Å | 1.08Å | |
| CAF | H23 | sing | 1.08Å | 1.08Å | |
| CAE | H24 | sing | 1.08Å | 1.08Å | |
| CAG | H25 | sing | 1.08Å | 1.08Å | |
| CAI | H26 | sing | 1.08Å | 1.08Å | |
| CAP | H2 | sing | 1.09Å | 1.10Å | |
| CAN | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAO | H8 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H12 | sing | 1.08Å | 1.08Å | |
| CAA | H13 | sing | 1.09Å | 1.10Å | |
| CAA | H14 | sing | 1.09Å | 1.10Å | |
| CAA | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAG | CAI | 120.2° | 120.2° |
| CAG | CAE | CAF | 119.6° | 120.3° |
| CAG | CAE | H24 | 120.2° | 119.8° |
| CAE | CAG | H25 | 119.9° | 119.9° |
| CAG | CAI | CAW | 120.4° | 119.8° |
| CAI | CAG | H25 | 119.9° | 119.9° |
| CAG | CAI | H26 | 119.8° | 120.1° |
| CAE | CAF | CAH | 120.2° | 120.1° |
| CAE | CAF | H23 | 119.9° | 119.9° |
| CAF | CAE | H24 | 120.2° | 119.9° |
| CAI | CAW | CAH | 119.1° | 119.7° |
| CAI | CAW | CAU | 118.5° | 120.1° |
| CAW | CAI | H26 | 119.8° | 120.1° |
| CAF | CAH | CAW | 120.4° | 119.9° |
| CAF | CAH | H22 | 119.8° | 120.1° |
| CAH | CAF | H23 | 119.9° | 120.0° |
| CAH | CAW | CAU | 122.3° | 120.2° |
| CAW | CAH | H22 | 119.8° | 120.1° |
| CAW | CAU | OAD | 118.3° | 120.0° |
| CAW | CAU | CBB | 121.7° | 120.0° |
| OAD | CAU | CBB | 120.0° | 120.0° |
| CAU | CBB | SAT | 129.3° | 126.1° |
| CAU | CBB | CAV | 123.1° | 126.2° |
| SAT | CBB | CAV | 107.7° | 107.7° |
| CBB | SAT | CBA | 94.3° | 90.6° |
| CBB | CAV | NAC | 127.7° | 123.2° |
| CBB | CAV | NAQ | 114.3° | 113.6° |
| SAT | CBA | NAQ | 108.6° | 110.8° |
| SAT | CBA | NAR | 130.6° | 124.6° |
| NAC | CAV | NAQ | 118.1° | 123.2° |
| CAV | NAC | H20 | 109.5° | 120.0° |
| CAV | NAC | H21 | 109.5° | 120.0° |
| CAV | NAQ | CBA | 115.2° | 117.4° |
| NAQ | CBA | NAR | 120.8° | 124.6° |
| CBA | NAR | CAY | 124.0° | 120.0° |
| CBA | NAR | H19 | 118.0° | 120.0° |
| CAN | CAP | NBD | 111.4° | 109.4° |
| CAP | CAN | NBC | 110.7° | 109.4° |
| CAP | CAN | H9 | 109.2° | 109.5° |
| CAN | CAP | H11 | 109.0° | 109.5° |
| CAN | CAP | H2 | 109.0° | 109.5° |
| CAP | CAN | H4 | 109.2° | 109.5° |
| CAP | NBD | CAX | 121.8° | 111.0° |
| CAP | NBD | CAO | 117.3° | 110.9° |
| NBD | CAP | H11 | 109.0° | 109.4° |
| NBD | CAP | H2 | 109.0° | 109.5° |
| CAZ | OAS | CAA | 117.8° | 117.0° |
| OAS | CAZ | CAY | 117.2° | 120.0° |
| OAS | CAZ | CAL | 122.2° | 120.1° |
| OAS | CAA | H13 | 109.5° | 109.5° |
| OAS | CAA | H14 | 109.4° | 109.5° |
| OAS | CAA | H15 | 109.5° | 109.5° |
| NAR | CAY | CAZ | 115.5° | 120.0° |
| NAR | CAY | CAK | 125.2° | 120.0° |
| CAY | NAR | H19 | 118.0° | 120.0° |
| CAY | CAZ | CAL | 120.5° | 120.0° |
| CAZ | CAY | CAK | 119.2° | 119.9° |
| CAZ | CAL | CAX | 120.4° | 119.9° |
| CAZ | CAL | H12 | 119.8° | 120.0° |
| CAY | CAK | CAJ | 120.1° | 120.1° |
| CAY | CAK | H18 | 120.0° | 120.0° |
| CAN | NBC | CAM | 117.6° | 110.9° |
| CAN | NBC | CAB | 108.4° | 111.0° |
| NBC | CAN | H9 | 109.2° | 109.5° |
| NBC | CAN | H4 | 109.2° | 109.5° |
| CAL | CAX | CAJ | 119.4° | 120.1° |
| CAL | CAX | NBD | 118.9° | 120.0° |
| CAX | CAL | H12 | 119.8° | 120.1° |
| CAK | CAJ | CAX | 120.4° | 120.0° |
| CAK | CAJ | H17 | 119.8° | 120.0° |
| CAJ | CAK | H18 | 120.0° | 119.9° |
| CAJ | CAX | NBD | 121.7° | 120.0° |
| CAX | CAJ | H17 | 119.8° | 119.9° |
| CAX | NBD | CAO | 120.8° | 111.1° |
| NBD | CAO | CAM | 104.4° | 109.4° |
| NBD | CAO | H1 | 110.7° | 109.5° |
| NBD | CAO | H8 | 110.8° | 109.5° |
| CAM | NBC | CAB | 112.5° | 111.1° |
| NBC | CAM | CAO | 107.1° | 109.4° |
| NBC | CAM | H3 | 110.1° | 109.5° |
| NBC | CAM | H7 | 110.0° | 109.4° |
| NBC | CAB | H6 | 109.5° | 109.5° |
| NBC | CAB | H5 | 109.4° | 109.5° |
| NBC | CAB | H10 | 109.4° | 109.5° |
| CAM | CAO | H1 | 110.7° | 109.5° |
| CAO | CAM | H3 | 110.1° | 109.5° |
| CAO | CAM | H7 | 110.1° | 109.5° |
| CAM | CAO | H8 | 110.7° | 109.5° |
| H1 | CAO | H8 | 109.5° | 109.5° |
| H3 | CAM | H7 | 109.5° | 109.5° |
| H6 | CAB | H5 | 109.5° | 109.5° |
| H6 | CAB | H10 | 109.5° | 109.5° |
| H9 | CAN | H4 | 109.5° | 109.5° |
| H11 | CAP | H2 | 109.5° | 109.5° |
| H20 | NAC | H21 | 109.5° | 120.0° |
| H5 | CAB | H10 | 109.5° | 109.5° |
| H13 | CAA | H14 | 109.5° | 109.4° |
| H13 | CAA | H15 | 109.4° | 109.4° |
| H14 | CAA | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAG | CAI | H25 | 180.0° | 179.8° |
| CAG | CAE | CAF | H24 | 180.0° | 179.9° |
| CAE | CAG | CAI | CAW | 0.3° | 0.5° |
| CAG | CAE | CAF | CAH | 0.0° | 0.0° |
| CAG | CAE | CAF | H23 | 180.0° | 180.0° |
| CAE | CAG | CAI | H26 | 179.7° | 180.0° |
| CAI | CAG | CAE | CAF | 0.4° | 0.3° |
| CAG | CAI | CAW | H26 | 180.0° | 179.5° |
| CAG | CAI | CAW | CAH | 1.4° | 0.5° |
| CAG | CAI | CAW | CAU | 178.4° | 179.8° |
| CAI | CAG | CAE | H24 | 179.6° | 179.8° |
| CAE | CAF | CAH | H23 | 180.0° | 180.0° |
| CAE | CAF | CAH | CAW | 1.1° | 0.0° |
| CAE | CAF | CAH | H22 | 178.9° | 180.0° |
| CAF | CAE | CAG | H25 | 179.6° | 180.0° |
| CAI | CAW | CAH | CAF | 1.8° | 0.2° |
| CAI | CAW | CAH | CAU | 176.9° | 179.7° |
| CAI | CAW | CAU | OAD | 53.1° | 150.2° |
| CAI | CAW | CAU | CBB | 127.3° | 29.8° |
| CAI | CAW | CAH | H22 | 178.2° | 179.8° |
| CAW | CAI | CAG | H25 | 179.7° | 179.7° |
| CAF | CAH | CAW | H22 | 180.0° | 180.0° |
| CAF | CAH | CAW | CAU | 178.7° | 180.0° |
| CAH | CAF | CAE | H24 | 180.0° | 180.0° |
| CAH | CAW | CAU | OAD | 123.7° | 30.1° |
| CAH | CAW | CAU | CBB | 55.8° | 149.9° |
| CAW | CAH | CAF | H23 | 178.9° | 180.0° |
| CAH | CAW | CAI | H26 | 178.6° | 180.0° |
| CAW | CAU | OAD | CBB | 179.5° | 180.0° |
| CAW | CAU | CBB | SAT | 13.1° | 7.4° |
| CAW | CAU | CBB | CAV | 167.8° | 173.0° |
| CAU | CAW | CAH | H22 | 1.3° | 0.0° |
| CAU | CAW | CAI | H26 | 1.6° | 0.3° |
| OAD | CAU | CBB | SAT | 167.3° | 172.6° |
| OAD | CAU | CBB | CAV | 11.8° | 7.0° |
| CAU | CBB | SAT | CAV | 179.2° | 179.7° |
| CAU | CBB | SAT | CBA | 179.5° | 180.0° |
| CAU | CBB | CAV | NAC | 0.5° | 0.4° |
| CAU | CBB | CAV | NAQ | 179.4° | 179.9° |
| SAT | CBB | CAV | NAC | 179.7° | 180.0° |
| SAT | CBB | CAV | NAQ | 0.1° | 0.4° |
| CBB | SAT | CBA | NAQ | 0.4° | 0.0° |
| CBB | SAT | CBA | NAR | 179.5° | 179.7° |
| CAV | CBB | SAT | CBA | 0.3° | 0.3° |
| CBB | CAV | NAC | NAQ | 179.9° | 179.5° |
| CBB | CAV | NAQ | CBA | 0.2° | 0.5° |
| CBB | CAV | NAC | H20 | 179.9° | 179.5° |
| CBB | CAV | NAC | H21 | 59.9° | 0.5° |
| SAT | CBA | NAQ | CAV | 0.4° | 0.3° |
| SAT | CBA | NAQ | NAR | 179.2° | 179.8° |
| SAT | CBA | NAR | CAY | 23.9° | 170.7° |
| SAT | CBA | NAR | H19 | 156.1° | 9.3° |
| NAC | CAV | NAQ | CBA | 179.9° | 180.0° |
| CAV | NAC | H20 | H21 | 120.0° | 180.0° |
| CAV | NAQ | CBA | NAR | 179.6° | 180.0° |
| NAQ | CAV | NAC | H20 | 0.0° | 0.0° |
| NAQ | CAV | NAC | H21 | 120.0° | 180.0° |
| NAQ | CBA | NAR | CAY | 157.1° | 9.0° |
| NAQ | CBA | NAR | H19 | 22.9° | 170.9° |
| CBA | NAR | CAY | H19 | 180.0° | 180.0° |
| CBA | NAR | CAY | CAZ | 139.9° | 171.6° |
| CBA | NAR | CAY | CAK | 43.1° | 8.1° |
| CAN | CAP | NBD | H11 | 120.3° | 120.0° |
| CAN | CAP | NBD | H2 | 120.3° | 120.0° |
| CAP | CAN | NBC | H9 | 120.2° | 119.9° |
| CAP | CAN | NBC | H4 | 120.2° | 120.0° |
| CAN | CAP | NBD | CAX | 175.0° | 176.8° |
| CAN | CAP | NBD | CAO | 7.2° | 59.2° |
| CAP | CAN | NBC | CAM | 25.2° | 59.3° |
| CAP | CAN | NBC | CAB | 154.1° | 176.8° |
| CAP | CAN | H9 | H4 | 119.5° | 120.1° |
| CAN | CAP | H11 | H2 | 119.1° | 120.1° |
| NBD | CAP | CAN | NBC | 45.6° | 58.4° |
| CAP | NBD | CAX | CAL | 115.6° | 179.7° |
| CAP | NBD | CAX | CAJ | 65.3° | 0.0° |
| CAP | NBD | CAX | CAO | 177.7° | 123.8° |
| CAP | NBD | CAO | CAM | 51.7° | 59.2° |
| CAP | NBD | CAO | H1 | 170.9° | 179.2° |
| NBD | CAP | CAN | H9 | 74.6° | 178.3° |
| NBD | CAP | H11 | H2 | 119.1° | 120.0° |
| NBD | CAP | CAN | H4 | 165.7° | 61.6° |
| CAP | NBD | CAO | H8 | 67.5° | 60.7° |
| OAS | CAZ | CAY | NAR | 2.4° | 0.0° |
| OAS | CAZ | CAY | CAL | 178.1° | 180.0° |
| OAS | CAZ | CAY | CAK | 179.6° | 179.7° |
| OAS | CAZ | CAL | CAX | 179.6° | 180.0° |
| OAS | CAZ | CAL | H12 | 0.4° | 0.0° |
| CAZ | OAS | CAA | H13 | 180.0° | 60.0° |
| CAZ | OAS | CAA | H14 | 60.0° | 60.0° |
| CAZ | OAS | CAA | H15 | 60.0° | 180.0° |
| CAA | OAS | CAZ | CAY | 128.0° | 180.0° |
| CAA | OAS | CAZ | CAL | 54.0° | 0.0° |
| OAS | CAA | H13 | H14 | 120.0° | 120.0° |
| OAS | CAA | H13 | H15 | 120.0° | 120.0° |
| OAS | CAA | H14 | H15 | 120.0° | 120.0° |
| NAR | CAY | CAZ | CAK | 177.2° | 179.7° |
| NAR | CAY | CAZ | CAL | 179.5° | 180.0° |
| NAR | CAY | CAK | CAJ | 178.8° | 179.7° |
| NAR | CAY | CAK | H18 | 1.2° | 0.3° |
| CAY | CAZ | CAL | CAX | 1.6° | 0.0° |
| CAZ | CAY | CAK | CAJ | 1.8° | 0.5° |
| CAZ | CAY | CAK | H18 | 178.2° | 180.0° |
| CAZ | CAY | NAR | H19 | 40.1° | 8.4° |
| CAY | CAZ | CAL | H12 | 178.3° | 180.0° |
| CAL | CAZ | CAY | CAK | 2.3° | 0.2° |
| CAZ | CAL | CAX | H12 | 180.0° | 180.0° |
| CAZ | CAL | CAX | CAJ | 0.4° | 0.0° |
| CAZ | CAL | CAX | NBD | 178.8° | 179.7° |
| CAY | CAK | CAJ | H18 | 180.0° | 179.4° |
| CAY | CAK | CAJ | CAX | 0.7° | 0.6° |
| CAY | CAK | CAJ | H17 | 179.3° | 179.4° |
| CAK | CAY | NAR | H19 | 137.0° | 171.9° |
| CAN | NBC | CAM | CAB | 127.0° | 123.9° |
| CAN | NBC | CAM | CAO | 33.7° | 59.3° |
| CAN | NBC | CAM | H3 | 153.4° | 179.3° |
| CAN | NBC | CAB | H6 | 180.0° | 63.8° |
| NBC | CAN | H9 | H4 | 119.4° | 120.1° |
| NBC | CAN | CAP | H11 | 74.7° | 61.6° |
| NBC | CAN | CAP | H2 | 165.8° | 178.4° |
| CAN | NBC | CAM | H7 | 85.9° | 60.7° |
| CAN | NBC | CAB | H5 | 60.0° | 56.2° |
| CAN | NBC | CAB | H10 | 60.0° | 176.2° |
| CAL | CAX | CAJ | CAK | 0.0° | 0.3° |
| CAL | CAX | CAJ | NBD | 179.2° | 179.7° |
| CAL | CAX | NBD | CAO | 62.2° | 55.9° |
| CAL | CAX | CAJ | H17 | 180.0° | 179.7° |
| CAK | CAJ | CAX | H17 | 180.0° | 180.0° |
| CAK | CAJ | CAX | NBD | 179.2° | 180.0° |
| CAJ | CAX | NBD | CAO | 117.0° | 123.8° |
| CAX | CAJ | CAK | H18 | 179.4° | 180.0° |
| CAJ | CAX | CAL | H12 | 179.5° | 180.0° |
| CAX | NBD | CAO | CAM | 126.1° | 176.8° |
| CAX | NBD | CAO | H1 | 6.9° | 56.8° |
| CAX | NBD | CAP | H11 | 64.7° | 63.2° |
| NBD | CAX | CAJ | H17 | 0.8° | 0.0° |
| CAX | NBD | CAP | H2 | 54.7° | 56.8° |
| CAX | NBD | CAO | H8 | 114.7° | 63.2° |
| NBD | CAX | CAL | H12 | 1.3° | 0.3° |
| NBD | CAO | CAM | NBC | 71.4° | 58.4° |
| NBD | CAO | CAM | H1 | 119.2° | 120.0° |
| NBD | CAO | CAM | H8 | 119.2° | 120.0° |
| NBD | CAO | H1 | H8 | 122.4° | 120.0° |
| NBD | CAO | CAM | H3 | 168.9° | 178.4° |
| CAO | NBD | CAP | H11 | 113.0° | 60.7° |
| CAO | NBD | CAP | H2 | 127.5° | 179.3° |
| NBD | CAO | CAM | H7 | 48.1° | 61.6° |
| NBC | CAM | CAO | H3 | 119.6° | 120.0° |
| NBC | CAM | CAO | H7 | 119.6° | 119.9° |
| NBC | CAM | CAO | H1 | 169.4° | 178.4° |
| NBC | CAM | H3 | H7 | 121.1° | 120.0° |
| CAM | NBC | CAB | H6 | 48.3° | 60.0° |
| CAM | NBC | CAN | H9 | 95.0° | 179.2° |
| CAM | NBC | CAN | H4 | 145.4° | 60.7° |
| NBC | CAM | CAO | H8 | 47.8° | 61.6° |
| CAM | NBC | CAB | H5 | 71.8° | 180.0° |
| CAM | NBC | CAB | H10 | 168.3° | 60.0° |
| CAB | NBC | CAM | CAO | 93.3° | 176.8° |
| CAB | NBC | CAM | H3 | 26.4° | 56.8° |
| NBC | CAB | H6 | H5 | 120.0° | 120.0° |
| NBC | CAB | H6 | H10 | 120.0° | 120.0° |
| CAB | NBC | CAN | H9 | 34.0° | 56.9° |
| CAB | NBC | CAN | H4 | 85.7° | 63.2° |
| CAB | NBC | CAM | H7 | 147.1° | 63.2° |
| NBC | CAB | H5 | H10 | 119.9° | 120.0° |
| CAM | CAO | H1 | H8 | 122.3° | 120.0° |
| CAO | CAM | H3 | H7 | 121.1° | 120.0° |
| H1 | CAO | CAM | H3 | 49.7° | 61.6° |
| H1 | CAO | CAM | H7 | 71.1° | 58.4° |
| H3 | CAM | CAO | H8 | 71.9° | 58.4° |
| H6 | CAB | H5 | H10 | 120.0° | 120.0° |
| H9 | CAN | CAP | H11 | 165.1° | 58.4° |
| H9 | CAN | CAP | H2 | 45.7° | 61.7° |
| H11 | CAP | CAN | H4 | 45.4° | 178.5° |
| H17 | CAJ | CAK | H18 | 0.7° | 0.0° |
| H22 | CAH | CAF | H23 | 1.1° | 0.0° |
| H23 | CAF | CAE | H24 | 0.0° | 0.0° |
| H24 | CAE | CAG | H25 | 0.4° | 0.0° |
| H25 | CAG | CAI | H26 | 0.3° | 0.3° |
| H2 | CAP | CAN | H4 | 74.0° | 58.4° |
| H7 | CAM | CAO | H8 | 167.4° | 178.4° |
| H13 | CAA | H14 | H15 | 120.0° | 119.9° |
