EB9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAW | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | CAX | sing | 1.38Å | 1.41Å | Aromatic |
| CAV | CAU | sing | 1.38Å | 1.40Å | Aromatic |
| CAX | CAY | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAR | doub | 1.38Å | 1.42Å | Aromatic |
| CAY | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | SAQ | sing | 1.76Å | 1.75Å | |
| OAT | SAQ | doub | 1.42Å | 1.52Å | |
| CAH | CAG | doub | 1.37Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | CAD | sing | 1.40Å | 1.40Å | Aromatic |
| SAQ | NAP | sing | 1.66Å | 1.76Å | |
| SAQ | OAS | doub | 1.42Å | 1.51Å | |
| CAI | CAJ | doub | 1.38Å | 1.34Å | Aromatic |
| NAP | CAC | sing | 1.39Å | 1.36Å | |
| CAD | CAC | doub | 1.41Å | 1.40Å | Aromatic |
| CAD | CAE | sing | 1.40Å | 1.36Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAE | sing | 1.40Å | 1.34Å | Aromatic |
| CAJ | CAL | sing | 1.47Å | 1.37Å | |
| CAE | CAF | doub | 1.39Å | 1.34Å | Aromatic |
| CAL | OAM | doub | 1.22Å | 1.25Å | |
| CAL | NAK | sing | 1.36Å | 1.34Å | |
| CAB | CAA | doub | 1.39Å | 1.41Å | Aromatic |
| CAF | CAA | sing | 1.38Å | 1.35Å | Aromatic |
| CAF | NAK | sing | 1.39Å | 1.35Å | |
| NAK | CAN | sing | 1.46Å | 1.54Å | |
| CAO | CAN | sing | 1.53Å | 1.53Å | |
| CAO | H1 | sing | 1.09Å | 1.10Å | |
| CAO | H2 | sing | 1.09Å | 1.10Å | |
| CAO | H3 | sing | 1.09Å | 1.10Å | |
| CAN | H4 | sing | 1.09Å | 1.10Å | |
| CAN | H5 | sing | 1.09Å | 1.10Å | |
| CAI | H6 | sing | 1.08Å | 1.08Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| CAA | H9 | sing | 1.08Å | 1.08Å | |
| CAB | H10 | sing | 1.08Å | 1.08Å | |
| NAP | H11 | sing | 0.97Å | 1.00Å | |
| CAU | H12 | sing | 1.08Å | 1.08Å | |
| CAV | H13 | sing | 1.08Å | 1.08Å | |
| CAW | H14 | sing | 1.08Å | 1.08Å | |
| CAX | H15 | sing | 1.08Å | 1.08Å | |
| CAY | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAV | CAW | CAX | 120.6° | 120.0° |
| CAW | CAV | CAU | 118.3° | 120.0° |
| CAW | CAV | H13 | 120.8° | 120.0° |
| CAV | CAW | H14 | 119.7° | 120.0° |
| CAW | CAX | CAY | 121.7° | 120.0° |
| CAX | CAW | H14 | 119.7° | 120.0° |
| CAW | CAX | H15 | 119.2° | 120.0° |
| CAV | CAU | CAR | 121.1° | 120.0° |
| CAV | CAU | H12 | 119.5° | 120.0° |
| CAU | CAV | H13 | 120.9° | 120.0° |
| CAX | CAY | CAR | 118.2° | 120.0° |
| CAY | CAX | H15 | 119.2° | 120.1° |
| CAX | CAY | H16 | 120.9° | 120.0° |
| CAU | CAR | CAY | 120.1° | 120.0° |
| CAU | CAR | SAQ | 118.5° | 120.0° |
| CAR | CAU | H12 | 119.5° | 120.0° |
| CAY | CAR | SAQ | 121.4° | 120.0° |
| CAR | CAY | H16 | 120.9° | 120.0° |
| CAR | SAQ | OAT | 111.5° | 106.4° |
| CAR | SAQ | NAP | 99.7° | 107.2° |
| CAR | SAQ | OAS | 111.9° | 106.4° |
| OAT | SAQ | NAP | 108.3° | 106.4° |
| OAT | SAQ | OAS | 113.6° | 123.1° |
| CAG | CAH | CAI | 119.6° | 123.1° |
| CAH | CAG | CAD | 117.5° | 119.0° |
| CAG | CAH | H7 | 120.2° | 118.5° |
| CAH | CAG | H8 | 121.2° | 120.5° |
| CAH | CAI | CAJ | 121.8° | 119.7° |
| CAH | CAI | H6 | 119.1° | 120.2° |
| CAI | CAH | H7 | 120.2° | 118.4° |
| CAG | CAD | CAC | 123.4° | 125.7° |
| CAG | CAD | CAE | 118.6° | 117.3° |
| CAD | CAG | H8 | 121.2° | 120.6° |
| NAP | SAQ | OAS | 110.9° | 106.4° |
| SAQ | NAP | CAC | 122.2° | 120.0° |
| SAQ | NAP | H11 | 106.2° | 120.0° |
| CAI | CAJ | CAE | 117.6° | 116.7° |
| CAI | CAJ | CAL | 135.8° | 139.0° |
| CAJ | CAI | H6 | 119.1° | 120.1° |
| NAP | CAC | CAD | 118.9° | 120.9° |
| NAP | CAC | CAB | 124.0° | 120.9° |
| CAC | NAP | H11 | 106.2° | 120.1° |
| CAC | CAD | CAE | 118.0° | 117.0° |
| CAD | CAC | CAB | 117.0° | 118.2° |
| CAD | CAE | CAJ | 124.8° | 124.2° |
| CAD | CAE | CAF | 125.9° | 125.2° |
| CAC | CAB | CAA | 121.3° | 123.0° |
| CAC | CAB | H10 | 119.4° | 118.5° |
| CAE | CAJ | CAL | 106.4° | 104.3° |
| CAJ | CAE | CAF | 109.3° | 110.6° |
| CAJ | CAL | OAM | 127.8° | 126.0° |
| CAJ | CAL | NAK | 109.1° | 108.0° |
| CAE | CAF | CAA | 118.2° | 116.4° |
| CAE | CAF | NAK | 108.2° | 106.8° |
| OAM | CAL | NAK | 122.7° | 126.0° |
| CAL | NAK | CAF | 106.9° | 110.3° |
| CAL | NAK | CAN | 122.1° | 124.9° |
| CAB | CAA | CAF | 119.6° | 120.2° |
| CAB | CAA | H9 | 120.2° | 119.9° |
| CAA | CAB | H10 | 119.4° | 118.5° |
| CAA | CAF | NAK | 133.4° | 136.8° |
| CAF | CAA | H9 | 120.2° | 119.9° |
| CAF | NAK | CAN | 130.6° | 124.8° |
| NAK | CAN | CAO | 109.1° | 109.5° |
| NAK | CAN | H4 | 109.6° | 109.5° |
| NAK | CAN | H5 | 109.6° | 109.5° |
| CAN | CAO | H1 | 109.5° | 109.5° |
| CAN | CAO | H2 | 109.5° | 109.5° |
| CAN | CAO | H3 | 109.5° | 109.5° |
| CAO | CAN | H4 | 109.6° | 109.4° |
| CAO | CAN | H5 | 109.6° | 109.5° |
| H1 | CAO | H2 | 109.5° | 109.4° |
| H1 | CAO | H3 | 109.5° | 109.5° |
| H2 | CAO | H3 | 109.4° | 109.4° |
| H4 | CAN | H5 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAV | CAW | CAX | H14 | 180.0° | 180.0° |
| CAW | CAV | CAU | H13 | 180.0° | 180.0° |
| CAV | CAW | CAX | CAY | 2.4° | 0.2° |
| CAW | CAV | CAU | CAR | 0.9° | 0.0° |
| CAW | CAV | CAU | H12 | 179.1° | 180.0° |
| CAV | CAW | CAX | H15 | 177.6° | 180.0° |
| CAX | CAW | CAV | CAU | 1.0° | 0.0° |
| CAW | CAX | CAY | H15 | 180.0° | 179.7° |
| CAW | CAX | CAY | CAR | 3.5° | 0.5° |
| CAX | CAW | CAV | H13 | 179.0° | 180.0° |
| CAW | CAX | CAY | H16 | 176.5° | 180.0° |
| CAV | CAU | CAR | H12 | 180.0° | 180.0° |
| CAV | CAU | CAR | CAY | 2.1° | 0.3° |
| CAV | CAU | CAR | SAQ | 178.5° | 179.9° |
| CAU | CAV | CAW | H14 | 179.0° | 180.0° |
| CAX | CAY | CAR | CAU | 3.3° | 0.5° |
| CAX | CAY | CAR | H16 | 180.0° | 179.5° |
| CAX | CAY | CAR | SAQ | 179.6° | 179.7° |
| CAY | CAX | CAW | H14 | 177.6° | 179.8° |
| CAU | CAR | CAY | SAQ | 176.3° | 179.8° |
| CAU | CAR | SAQ | OAT | 56.0° | 156.5° |
| CAU | CAR | SAQ | NAP | 58.1° | 90.0° |
| CAU | CAR | SAQ | OAS | 175.4° | 23.6° |
| CAR | CAU | CAV | H13 | 179.2° | 180.0° |
| CAU | CAR | CAY | H16 | 176.7° | 179.9° |
| CAY | CAR | SAQ | OAT | 127.6° | 23.3° |
| CAY | CAR | SAQ | NAP | 118.3° | 90.2° |
| CAY | CAR | SAQ | OAS | 0.9° | 156.2° |
| CAY | CAR | CAU | H12 | 177.9° | 179.8° |
| CAR | CAY | CAX | H15 | 176.5° | 179.7° |
| CAR | SAQ | OAT | NAP | 108.7° | 114.1° |
| CAR | SAQ | OAT | OAS | 127.6° | 123.0° |
| CAR | SAQ | NAP | OAS | 118.1° | 113.6° |
| CAR | SAQ | NAP | CAC | 69.0° | 60.4° |
| CAR | SAQ | NAP | H11 | 169.2° | 119.6° |
| SAQ | CAR | CAU | H12 | 1.5° | 0.0° |
| SAQ | CAR | CAY | H16 | 0.4° | 0.1° |
| OAT | SAQ | NAP | OAS | 125.3° | 132.9° |
| OAT | SAQ | NAP | CAC | 174.3° | 53.1° |
| OAT | SAQ | NAP | H11 | 52.6° | 126.9° |
| CAG | CAH | CAI | H7 | 180.0° | 180.0° |
| CAH | CAG | CAD | H8 | 180.0° | 180.0° |
| CAG | CAH | CAI | CAJ | 1.3° | 0.0° |
| CAH | CAG | CAD | CAC | 180.0° | 179.9° |
| CAH | CAG | CAD | CAE | 1.8° | 0.0° |
| CAG | CAH | CAI | H6 | 178.7° | 180.0° |
| CAI | CAH | CAG | CAD | 0.5° | 0.0° |
| CAH | CAI | CAJ | H6 | 180.0° | 180.0° |
| CAH | CAI | CAJ | CAE | 1.9° | 0.1° |
| CAH | CAI | CAJ | CAL | 175.7° | 179.7° |
| CAI | CAH | CAG | H8 | 179.5° | 180.0° |
| CAG | CAD | CAC | NAP | 2.9° | 0.1° |
| CAG | CAD | CAC | CAE | 178.2° | 180.0° |
| CAG | CAD | CAC | CAB | 178.6° | 180.0° |
| CAG | CAD | CAE | CAJ | 1.3° | 0.0° |
| CAG | CAD | CAE | CAF | 179.8° | 180.0° |
| CAD | CAG | CAH | H7 | 179.5° | 180.0° |
| SAQ | NAP | CAC | H11 | 121.8° | 180.0° |
| SAQ | NAP | CAC | CAD | 130.4° | 144.5° |
| SAQ | NAP | CAC | CAB | 54.2° | 35.5° |
| OAS | SAQ | NAP | CAC | 49.0° | 174.0° |
| OAS | SAQ | NAP | H11 | 72.7° | 6.0° |
| CAI | CAJ | CAE | CAD | 0.5° | 0.0° |
| CAI | CAJ | CAE | CAL | 175.5° | 179.7° |
| CAI | CAJ | CAE | CAF | 178.5° | 179.9° |
| CAI | CAJ | CAL | OAM | 3.0° | 0.4° |
| CAI | CAJ | CAL | NAK | 175.9° | 179.6° |
| CAJ | CAI | CAH | H7 | 178.7° | 180.0° |
| NAP | CAC | CAD | CAB | 175.7° | 179.9° |
| NAP | CAC | CAD | CAE | 175.3° | 180.0° |
| NAP | CAC | CAB | CAA | 176.8° | 180.0° |
| NAP | CAC | CAB | H10 | 3.2° | 0.1° |
| CAC | CAD | CAE | CAJ | 179.6° | 180.0° |
| CAC | CAD | CAE | CAF | 1.5° | 0.0° |
| CAD | CAC | CAB | CAA | 1.3° | 0.0° |
| CAC | CAD | CAG | H8 | 0.0° | 0.1° |
| CAD | CAC | CAB | H10 | 178.7° | 180.0° |
| CAD | CAC | NAP | H11 | 107.8° | 35.5° |
| CAE | CAD | CAC | CAB | 0.4° | 0.0° |
| CAD | CAE | CAJ | CAF | 179.0° | 180.0° |
| CAD | CAE | CAJ | CAL | 176.0° | 179.8° |
| CAD | CAE | CAF | CAA | 0.8° | 0.0° |
| CAD | CAE | CAF | NAK | 175.7° | 179.6° |
| CAE | CAD | CAG | H8 | 178.2° | 180.0° |
| CAC | CAB | CAA | H10 | 180.0° | 180.0° |
| CAC | CAB | CAA | CAF | 2.0° | 0.0° |
| CAC | CAB | CAA | H9 | 177.9° | 180.0° |
| CAB | CAC | NAP | H11 | 67.6° | 144.4° |
| CAE | CAJ | CAL | OAM | 171.2° | 180.0° |
| CAE | CAJ | CAL | NAK | 1.6° | 0.0° |
| CAJ | CAE | CAF | CAA | 179.8° | 180.0° |
| CAJ | CAE | CAF | NAK | 3.2° | 0.3° |
| CAE | CAJ | CAI | H6 | 178.1° | 180.0° |
| CAL | CAJ | CAE | CAF | 3.0° | 0.2° |
| CAJ | CAL | OAM | NAK | 172.0° | 180.0° |
| CAJ | CAL | NAK | CAF | 0.3° | 0.2° |
| CAJ | CAL | NAK | CAN | 173.0° | 180.0° |
| CAL | CAJ | CAI | H6 | 4.3° | 0.4° |
| CAE | CAF | NAK | CAL | 2.2° | 0.3° |
| CAE | CAF | CAA | CAB | 1.0° | 0.0° |
| CAE | CAF | CAA | NAK | 175.4° | 179.5° |
| CAE | CAF | NAK | CAN | 170.3° | 179.9° |
| CAE | CAF | CAA | H9 | 179.0° | 180.0° |
| OAM | CAL | NAK | CAF | 173.6° | 179.8° |
| OAM | CAL | NAK | CAN | 0.4° | 0.0° |
| CAL | NAK | CAF | CAA | 177.9° | 179.9° |
| CAL | NAK | CAF | CAN | 172.5° | 179.8° |
| CAL | NAK | CAN | CAO | 101.9° | 90.0° |
| CAL | NAK | CAN | H4 | 138.2° | 30.0° |
| CAL | NAK | CAN | H5 | 18.0° | 149.9° |
| CAB | CAA | CAF | H9 | 180.0° | 180.0° |
| CAB | CAA | CAF | NAK | 176.5° | 179.5° |
| CAA | CAF | NAK | CAN | 5.4° | 0.3° |
| CAF | CAA | CAB | H10 | 177.9° | 179.9° |
| CAF | NAK | CAN | CAO | 69.6° | 90.3° |
| CAF | NAK | CAN | H4 | 50.3° | 149.7° |
| CAF | NAK | CAN | H5 | 170.5° | 29.8° |
| NAK | CAF | CAA | H9 | 3.5° | 0.5° |
| NAK | CAN | CAO | H4 | 119.9° | 120.0° |
| NAK | CAN | CAO | H5 | 119.9° | 120.1° |
| NAK | CAN | CAO | H1 | 180.0° | 59.9° |
| NAK | CAN | CAO | H2 | 60.0° | 60.0° |
| NAK | CAN | CAO | H3 | 60.0° | 180.0° |
| NAK | CAN | H4 | H5 | 120.2° | 120.0° |
| CAN | CAO | H1 | H2 | 120.0° | 120.0° |
| CAN | CAO | H1 | H3 | 120.0° | 120.1° |
| CAN | CAO | H2 | H3 | 120.0° | 120.1° |
| CAO | CAN | H4 | H5 | 120.2° | 120.0° |
| H1 | CAO | H2 | H3 | 120.0° | 120.0° |
| H1 | CAO | CAN | H4 | 60.1° | 60.1° |
| H1 | CAO | CAN | H5 | 60.1° | 180.0° |
| H2 | CAO | CAN | H4 | 179.9° | 180.0° |
| H2 | CAO | CAN | H5 | 59.9° | 60.1° |
| H3 | CAO | CAN | H4 | 60.0° | 60.0° |
| H3 | CAO | CAN | H5 | 179.9° | 59.9° |
| H6 | CAI | CAH | H7 | 1.3° | 0.0° |
| H7 | CAH | CAG | H8 | 0.5° | 0.0° |
| H9 | CAA | CAB | H10 | 2.1° | 0.0° |
| H12 | CAU | CAV | H13 | 0.8° | 0.1° |
| H13 | CAV | CAW | H14 | 1.0° | 0.0° |
| H14 | CAW | CAX | H15 | 2.3° | 0.0° |
| H15 | CAX | CAY | H16 | 3.5° | 0.2° |
