6BH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAQ | sing | 1.51Å | 1.51Å | |
| CAQ | OAS | sing | 1.43Å | 1.43Å | |
| OAS | CAX | sing | 1.36Å | 1.37Å | |
| CAX | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAX | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAV | NAR | sing | 1.40Å | 1.35Å | |
| NAR | CAT | sing | 1.35Å | 1.33Å | |
| OAA | CAT | doub | 1.22Å | 1.22Å | |
| CAT | CAZ | sing | 1.48Å | 1.50Å | |
| CAZ | CAP | doub | 1.40Å | 1.39Å | Aromatic |
| CAZ | CAW | sing | 1.40Å | 1.38Å | Aromatic |
| CAP | CAY | sing | 1.38Å | 1.39Å | Aromatic |
| OAC | NBA | sing | 1.22Å | 1.39Å | |
| CAW | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAY | NBA | sing | 1.48Å | 1.40Å | |
| CAY | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| NBA | OAB | doub | 1.22Å | 1.39Å | |
| CAM | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | H1 | sing | 1.08Å | 1.08Å | |
| CAN | H2 | sing | 1.08Å | 1.08Å | |
| CAM | H3 | sing | 1.08Å | 1.08Å | |
| CAW | H4 | sing | 1.08Å | 1.08Å | |
| NAR | H5 | sing | 0.97Å | 1.00Å | |
| CAO | H6 | sing | 1.08Å | 1.08Å | |
| CAK | H7 | sing | 1.08Å | 1.08Å | |
| CAH | H8 | sing | 1.08Å | 1.08Å | |
| CAL | H9 | sing | 1.08Å | 1.08Å | |
| CAQ | H10 | sing | 1.09Å | 1.10Å | |
| CAQ | H11 | sing | 1.09Å | 1.10Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å | |
| CAF | H13 | sing | 1.08Å | 1.08Å | |
| CAE | H14 | sing | 1.08Å | 1.08Å | |
| CAG | H15 | sing | 1.08Å | 1.08Å | |
| CAJ | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAE | CAF | 120.0° | 120.0° |
| CAE | CAG | CAJ | 120.0° | 120.0° |
| CAG | CAE | H14 | 120.0° | 120.0° |
| CAE | CAG | H15 | 120.0° | 119.9° |
| CAE | CAF | CAI | 120.0° | 120.0° |
| CAE | CAF | H13 | 120.0° | 120.0° |
| CAF | CAE | H14 | 120.0° | 120.0° |
| CAG | CAJ | CAU | 120.0° | 120.0° |
| CAJ | CAG | H15 | 120.0° | 120.0° |
| CAG | CAJ | H16 | 120.0° | 119.9° |
| CAF | CAI | CAU | 120.0° | 120.0° |
| CAF | CAI | H12 | 120.0° | 120.0° |
| CAI | CAF | H13 | 120.0° | 120.0° |
| CAJ | CAU | CAI | 120.0° | 120.0° |
| CAJ | CAU | CAQ | 120.0° | 120.0° |
| CAU | CAJ | H16 | 120.0° | 120.1° |
| CAI | CAU | CAQ | 120.0° | 120.0° |
| CAU | CAI | H12 | 120.0° | 120.0° |
| CAU | CAQ | OAS | 109.5° | 109.5° |
| CAU | CAQ | H10 | 109.5° | 109.5° |
| CAU | CAQ | H11 | 109.5° | 109.5° |
| CAQ | OAS | CAX | 120.0° | 117.0° |
| OAS | CAQ | H10 | 109.5° | 109.4° |
| OAS | CAQ | H11 | 109.5° | 109.5° |
| OAS | CAX | CAL | 120.0° | 120.0° |
| OAS | CAX | CAO | 120.0° | 120.1° |
| CAL | CAX | CAO | 120.0° | 119.9° |
| CAX | CAL | CAH | 120.0° | 120.1° |
| CAX | CAL | H9 | 120.0° | 120.0° |
| CAX | CAO | CAV | 120.0° | 119.9° |
| CAX | CAO | H6 | 120.0° | 120.0° |
| CAL | CAH | CAK | 120.0° | 120.1° |
| CAL | CAH | H8 | 120.0° | 119.9° |
| CAH | CAL | H9 | 120.0° | 119.9° |
| CAO | CAV | CAK | 120.1° | 119.9° |
| CAO | CAV | NAR | 120.0° | 120.1° |
| CAV | CAO | H6 | 120.0° | 120.0° |
| CAH | CAK | CAV | 119.9° | 120.1° |
| CAH | CAK | H7 | 120.0° | 120.0° |
| CAK | CAH | H8 | 120.0° | 120.0° |
| CAK | CAV | NAR | 120.0° | 120.0° |
| CAV | CAK | H7 | 120.0° | 119.9° |
| CAV | NAR | CAT | 120.1° | 120.0° |
| CAV | NAR | H5 | 119.9° | 120.0° |
| NAR | CAT | OAA | 121.9° | 120.0° |
| NAR | CAT | CAZ | 118.8° | 120.0° |
| CAT | NAR | H5 | 120.0° | 120.0° |
| OAA | CAT | CAZ | 119.3° | 120.0° |
| CAT | CAZ | CAP | 120.0° | 120.1° |
| CAT | CAZ | CAW | 120.0° | 120.2° |
| CAP | CAZ | CAW | 120.0° | 119.7° |
| CAZ | CAP | CAY | 120.0° | 119.8° |
| CAZ | CAP | H1 | 120.0° | 120.1° |
| CAZ | CAW | CAM | 120.1° | 119.9° |
| CAZ | CAW | H4 | 120.0° | 120.1° |
| CAP | CAY | NBA | 120.0° | 119.9° |
| CAP | CAY | CAN | 120.0° | 120.2° |
| CAY | CAP | H1 | 120.0° | 120.1° |
| OAC | NBA | CAY | 120.0° | 120.0° |
| OAC | NBA | OAB | 120.0° | 120.0° |
| CAW | CAM | CAN | 120.0° | 120.1° |
| CAW | CAM | H3 | 120.0° | 120.0° |
| CAM | CAW | H4 | 119.9° | 120.0° |
| NBA | CAY | CAN | 120.1° | 119.9° |
| CAY | NBA | OAB | 120.0° | 120.0° |
| CAY | CAN | CAM | 119.9° | 120.3° |
| CAY | CAN | H2 | 120.0° | 119.9° |
| CAM | CAN | H2 | 120.0° | 119.9° |
| CAN | CAM | H3 | 120.0° | 119.9° |
| H10 | CAQ | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAE | CAF | H14 | 180.0° | 179.8° |
| CAE | CAG | CAJ | H15 | 180.0° | 179.7° |
| CAG | CAE | CAF | CAI | 0.0° | 0.1° |
| CAE | CAG | CAJ | CAU | 0.0° | 0.6° |
| CAG | CAE | CAF | H13 | 180.0° | 180.0° |
| CAE | CAG | CAJ | H16 | 180.0° | 180.0° |
| CAF | CAE | CAG | CAJ | 0.0° | 0.2° |
| CAE | CAF | CAI | H13 | 180.0° | 180.0° |
| CAE | CAF | CAI | CAU | 0.0° | 0.0° |
| CAE | CAF | CAI | H12 | 180.0° | 179.9° |
| CAF | CAE | CAG | H15 | 180.0° | 179.9° |
| CAG | CAJ | CAU | H16 | 180.0° | 179.4° |
| CAG | CAJ | CAU | CAI | 0.0° | 0.6° |
| CAG | CAJ | CAU | CAQ | 180.0° | 179.7° |
| CAJ | CAG | CAE | H14 | 180.0° | 180.0° |
| CAF | CAI | CAU | CAJ | 0.0° | 0.4° |
| CAF | CAI | CAU | H12 | 180.0° | 179.9° |
| CAF | CAI | CAU | CAQ | 180.0° | 180.0° |
| CAI | CAF | CAE | H14 | 180.0° | 179.8° |
| CAJ | CAU | CAI | CAQ | 180.0° | 179.7° |
| CAJ | CAU | CAQ | OAS | 68.8° | 90.3° |
| CAJ | CAU | CAQ | H10 | 171.2° | 149.7° |
| CAJ | CAU | CAQ | H11 | 51.2° | 29.8° |
| CAJ | CAU | CAI | H12 | 180.0° | 179.7° |
| CAU | CAJ | CAG | H15 | 180.0° | 179.7° |
| CAI | CAU | CAQ | OAS | 111.3° | 90.0° |
| CAI | CAU | CAQ | H10 | 8.8° | 30.0° |
| CAI | CAU | CAQ | H11 | 128.7° | 149.9° |
| CAU | CAI | CAF | H13 | 180.0° | 179.9° |
| CAI | CAU | CAJ | H16 | 180.0° | 180.0° |
| CAU | CAQ | OAS | H10 | 120.0° | 120.0° |
| CAU | CAQ | OAS | H11 | 120.0° | 120.0° |
| CAU | CAQ | OAS | CAX | 160.4° | 180.0° |
| CAU | CAQ | H10 | H11 | 120.0° | 120.0° |
| CAQ | CAU | CAI | H12 | 0.0° | 0.0° |
| CAQ | CAU | CAJ | H16 | 0.0° | 0.3° |
| CAQ | OAS | CAX | CAL | 60.2° | 0.0° |
| CAQ | OAS | CAX | CAO | 119.7° | 179.3° |
| OAS | CAQ | H10 | H11 | 120.0° | 120.0° |
| OAS | CAX | CAL | CAO | 179.9° | 179.3° |
| OAS | CAX | CAL | CAH | 180.0° | 179.9° |
| OAS | CAX | CAO | CAV | 180.0° | 179.7° |
| OAS | CAX | CAO | H6 | 0.0° | 0.3° |
| OAS | CAX | CAL | H9 | 0.0° | 0.5° |
| CAX | OAS | CAQ | H10 | 40.3° | 60.0° |
| CAX | OAS | CAQ | H11 | 79.6° | 60.0° |
| CAX | CAL | CAH | H9 | 180.0° | 179.5° |
| CAL | CAX | CAO | CAV | 0.1° | 0.5° |
| CAX | CAL | CAH | CAK | NaN° | 0.4° |
| CAL | CAX | CAO | H6 | 179.9° | 179.5° |
| CAX | CAL | CAH | H8 | 180.0° | 179.5° |
| CAO | CAX | CAL | CAH | 0.0° | 0.7° |
| CAX | CAO | CAV | H6 | 180.0° | 180.0° |
| CAX | CAO | CAV | CAK | 0.1° | 0.0° |
| CAX | CAO | CAV | NAR | 180.0° | 179.7° |
| CAO | CAX | CAL | H9 | 180.0° | 179.8° |
| CAL | CAH | CAK | H8 | 180.0° | 179.9° |
| CAL | CAH | CAK | CAV | 0.0° | 0.0° |
| CAL | CAH | CAK | H7 | 180.0° | 179.9° |
| CAO | CAV | CAK | CAH | 0.0° | 0.2° |
| CAO | CAV | CAK | NAR | 179.9° | 179.7° |
| CAO | CAV | NAR | CAT | 134.2° | 35.4° |
| CAO | CAV | NAR | H5 | 45.8° | 144.7° |
| CAO | CAV | CAK | H7 | 180.0° | 179.7° |
| CAH | CAK | CAV | H7 | 180.0° | 179.9° |
| CAH | CAK | CAV | NAR | 180.0° | 180.0° |
| CAK | CAH | CAL | H9 | 180.0° | 180.0° |
| CAK | CAV | NAR | CAT | 45.7° | 144.9° |
| CAK | CAV | NAR | H5 | 134.3° | 35.1° |
| CAK | CAV | CAO | H6 | 179.9° | 180.0° |
| CAV | CAK | CAH | H8 | 180.0° | 179.9° |
| CAV | NAR | CAT | H5 | 180.0° | 180.0° |
| CAV | NAR | CAT | OAA | 26.9° | 4.6° |
| CAV | NAR | CAT | CAZ | 153.2° | 175.4° |
| NAR | CAV | CAO | H6 | 0.0° | 0.3° |
| NAR | CAV | CAK | H7 | 0.1° | 0.0° |
| NAR | CAT | OAA | CAZ | 180.0° | 180.0° |
| NAR | CAT | CAZ | CAP | 76.4° | 180.0° |
| NAR | CAT | CAZ | CAW | 103.7° | 0.0° |
| OAA | CAT | CAZ | CAP | 103.6° | 0.0° |
| OAA | CAT | CAZ | CAW | 76.3° | 180.0° |
| OAA | CAT | NAR | H5 | 153.1° | 175.4° |
| CAT | CAZ | CAP | CAW | 179.9° | 180.0° |
| CAT | CAZ | CAP | CAY | 180.0° | 179.9° |
| CAT | CAZ | CAW | CAM | 180.0° | 179.8° |
| CAT | CAZ | CAP | H1 | 0.1° | 0.0° |
| CAT | CAZ | CAW | H4 | 0.0° | 0.0° |
| CAZ | CAT | NAR | H5 | 26.8° | 4.6° |
| CAZ | CAP | CAY | H1 | 180.0° | 180.0° |
| CAP | CAZ | CAW | CAM | 0.0° | 0.2° |
| CAZ | CAP | CAY | NBA | 180.0° | 180.0° |
| CAZ | CAP | CAY | CAN | 0.0° | 0.3° |
| CAP | CAZ | CAW | H4 | 180.0° | 180.0° |
| CAW | CAZ | CAP | CAY | 0.0° | 0.0° |
| CAZ | CAW | CAM | H4 | 180.0° | 179.8° |
| CAZ | CAW | CAM | CAN | 0.0° | 0.2° |
| CAW | CAZ | CAP | H1 | 180.0° | 180.0° |
| CAZ | CAW | CAM | H3 | 180.0° | 179.7° |
| CAP | CAY | NBA | OAC | 7.1° | 0.0° |
| CAP | CAY | NBA | CAN | 180.0° | 179.7° |
| CAP | CAY | NBA | OAB | 172.9° | 179.7° |
| CAP | CAY | CAN | CAM | 0.0° | 0.4° |
| CAP | CAY | CAN | H2 | 180.0° | 179.7° |
| OAC | NBA | CAY | OAB | 180.0° | 179.7° |
| OAC | NBA | CAY | CAN | 172.9° | 179.6° |
| CAW | CAM | CAN | CAY | 0.0° | 0.1° |
| CAW | CAM | CAN | H3 | 180.0° | 180.0° |
| CAW | CAM | CAN | H2 | 180.0° | 180.0° |
| NBA | CAY | CAN | CAM | 180.0° | 180.0° |
| NBA | CAY | CAP | H1 | 0.0° | 0.0° |
| NBA | CAY | CAN | H2 | 0.0° | 0.1° |
| CAN | CAY | NBA | OAB | 7.1° | 0.0° |
| CAY | CAN | CAM | H2 | 180.0° | 179.9° |
| CAN | CAY | CAP | H1 | 180.0° | 179.7° |
| CAY | CAN | CAM | H3 | 180.0° | 180.0° |
| CAN | CAM | CAW | H4 | 180.0° | 180.0° |
| H2 | CAN | CAM | H3 | 0.0° | 0.1° |
| H3 | CAM | CAW | H4 | 0.0° | 0.1° |
| H7 | CAK | CAH | H8 | 0.0° | 0.0° |
| H8 | CAH | CAL | H9 | 0.0° | 0.1° |
| H12 | CAI | CAF | H13 | 0.0° | 0.0° |
| H13 | CAF | CAE | H14 | 0.0° | 0.2° |
| H14 | CAE | CAG | H15 | 0.0° | 0.2° |
| H15 | CAG | CAJ | H16 | 0.0° | 0.3° |
