E9B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | sing | 1.37Å | 1.36Å | Aromatic |
| CAA | CAU | doub | 1.34Å | 1.35Å | Aromatic |
| CAB | CAC | doub | 1.37Å | 1.34Å | Aromatic |
| CAC | CAD | sing | 1.46Å | 1.33Å | |
| CAC | SAQ | sing | 1.76Å | 1.57Å | Aromatic |
| CAD | OAS | doub | 1.22Å | 1.24Å | |
| CAD | SAR | sing | 1.76Å | 1.72Å | |
| CAE | NAO | doub | 1.35Å | 1.34Å | Aromatic |
| CAE | OAT | sing | 1.34Å | 1.17Å | Aromatic |
| CAE | SAR | sing | 1.71Å | 1.74Å | |
| CAF | CAG | sing | 1.39Å | 1.31Å | |
| CAF | NAP | doub | 1.36Å | 1.34Å | Aromatic |
| CAF | OAT | sing | 1.35Å | 1.24Å | Aromatic |
| CAG | CAH | doub | 1.40Å | 1.50Å | |
| CAH | CAI | sing | 1.41Å | 1.38Å | |
| CAI | CAJ | doub | 1.41Å | 1.40Å | Aromatic |
| CAI | CAN | sing | 1.41Å | 1.38Å | Aromatic |
| CAJ | CAK | sing | 1.36Å | 1.38Å | Aromatic |
| CAK | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | CAM | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | CAN | doub | 1.37Å | 1.40Å | Aromatic |
| CAU | NAV | sing | 1.48Å | 1.34Å | |
| CAU | SAQ | sing | 1.71Å | 1.60Å | Aromatic |
| NAO | NAP | sing | 1.29Å | 1.36Å | Aromatic |
| NAV | OAW | doub | 1.32Å | 0.96Å | |
| NAV | OAX | sing | 1.32Å | 1.53Å | |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAB | H3 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAJ | H9 | sing | 1.08Å | 1.08Å | |
| CAK | H10 | sing | 1.08Å | 1.08Å | |
| CAL | H11 | sing | 1.08Å | 1.08Å | |
| CAM | H12 | sing | 1.08Å | 1.08Å | |
| CAN | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | CAU | 111.9° | 115.1° |
| CAA | CAB | CAC | 111.8° | 113.3° |
| CAB | CAA | H1 | 124.0° | 122.4° |
| CAA | CAB | H3 | 124.1° | 123.4° |
| CAA | CAU | NAV | 133.0° | 124.5° |
| CAA | CAU | SAQ | 109.2° | 111.0° |
| CAU | CAA | H1 | 124.0° | 122.5° |
| CAB | CAC | CAD | 130.2° | 125.5° |
| CAB | CAC | SAQ | 110.4° | 109.0° |
| CAC | CAB | H3 | 124.1° | 123.4° |
| CAD | CAC | SAQ | 119.4° | 125.5° |
| CAC | CAD | OAS | 119.2° | 120.0° |
| CAC | CAD | SAR | 117.9° | 120.0° |
| CAC | SAQ | CAU | 96.6° | 91.6° |
| OAS | CAD | SAR | 121.6° | 120.0° |
| CAD | SAR | CAE | 88.6° | 100.0° |
| NAO | CAE | OAT | 110.2° | 107.8° |
| NAO | CAE | SAR | 134.8° | 126.1° |
| CAE | NAO | NAP | 105.7° | 109.1° |
| OAT | CAE | SAR | 114.3° | 126.1° |
| CAE | OAT | CAF | 111.1° | 106.9° |
| CAG | CAF | NAP | 133.9° | 126.3° |
| CAG | CAF | OAT | 114.5° | 126.3° |
| CAF | CAG | CAH | 128.4° | 120.0° |
| CAF | CAG | H5 | 115.8° | 120.1° |
| NAP | CAF | OAT | 111.5° | 107.4° |
| CAF | NAP | NAO | 101.1° | 108.8° |
| CAG | CAH | CAI | 100.6° | 120.0° |
| CAH | CAG | H5 | 115.8° | 120.0° |
| CAG | CAH | H7 | 129.7° | 120.0° |
| CAH | CAI | CAJ | 117.0° | 120.3° |
| CAH | CAI | CAN | 123.6° | 120.3° |
| CAI | CAH | H7 | 129.7° | 120.0° |
| CAJ | CAI | CAN | 119.3° | 119.5° |
| CAI | CAJ | CAK | 122.3° | 119.7° |
| CAI | CAJ | H9 | 118.9° | 120.2° |
| CAI | CAN | CAM | 119.3° | 119.7° |
| CAI | CAN | H13 | 120.3° | 120.2° |
| CAJ | CAK | CAL | 117.9° | 120.3° |
| CAK | CAJ | H9 | 118.8° | 120.1° |
| CAJ | CAK | H10 | 121.1° | 119.9° |
| CAK | CAL | CAM | 120.5° | 120.5° |
| CAL | CAK | H10 | 121.0° | 119.8° |
| CAK | CAL | H11 | 119.7° | 119.8° |
| CAL | CAM | CAN | 120.5° | 120.3° |
| CAM | CAL | H11 | 119.7° | 119.7° |
| CAL | CAM | H12 | 119.7° | 119.9° |
| CAN | CAM | H12 | 119.7° | 119.9° |
| CAM | CAN | H13 | 120.4° | 120.1° |
| NAV | CAU | SAQ | 117.8° | 124.5° |
| CAU | NAV | OAW | 114.3° | 120.0° |
| CAU | NAV | OAX | 124.9° | 120.0° |
| OAW | NAV | OAX | 120.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | CAU | H1 | 180.0° | 179.7° |
| CAA | CAB | CAC | H3 | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 179.5° | 180.0° |
| CAA | CAB | CAC | SAQ | 0.6° | 0.0° |
| CAB | CAA | CAU | NAV | 178.9° | 180.0° |
| CAB | CAA | CAU | SAQ | 1.9° | 0.0° |
| CAU | CAA | CAB | CAC | 0.8° | 0.0° |
| CAA | CAU | SAQ | CAC | 2.0° | 0.0° |
| CAA | CAU | NAV | SAQ | 176.8° | 180.0° |
| CAA | CAU | NAV | OAW | 179.8° | 0.0° |
| CAA | CAU | NAV | OAX | 5.2° | 180.0° |
| CAU | CAA | CAB | H3 | 179.2° | 180.0° |
| CAB | CAC | CAD | SAQ | 178.8° | 180.0° |
| CAB | CAC | CAD | OAS | 166.0° | 0.0° |
| CAB | CAC | CAD | SAR | 1.1° | 180.0° |
| CAB | CAC | SAQ | CAU | 1.5° | 0.0° |
| CAC | CAB | CAA | H1 | 179.2° | 179.7° |
| CAC | CAD | OAS | SAR | 166.7° | 180.0° |
| CAC | CAD | SAR | CAE | 144.4° | 180.0° |
| CAD | CAC | SAQ | CAU | 179.5° | 180.0° |
| CAD | CAC | CAB | H3 | 0.5° | 0.0° |
| SAQ | CAC | CAD | OAS | 15.1° | 180.0° |
| SAQ | CAC | CAD | SAR | 177.7° | 0.0° |
| CAC | SAQ | CAU | NAV | 179.5° | 180.0° |
| SAQ | CAC | CAB | H3 | 179.4° | 180.0° |
| OAS | CAD | SAR | CAE | 48.7° | 0.0° |
| CAD | SAR | CAE | NAO | 66.7° | 0.0° |
| CAD | SAR | CAE | OAT | 102.3° | 179.7° |
| NAO | CAE | OAT | SAR | 171.6° | 179.7° |
| CAE | NAO | NAP | CAF | 4.3° | 0.0° |
| NAO | CAE | OAT | CAF | 5.5° | 0.0° |
| CAE | OAT | CAF | CAG | 176.4° | 180.0° |
| CAE | OAT | CAF | NAP | 2.5° | 0.0° |
| OAT | CAE | NAO | NAP | 6.2° | 0.0° |
| SAR | CAE | OAT | CAF | 177.1° | 179.7° |
| SAR | CAE | NAO | NAP | 175.5° | 179.7° |
| CAG | CAF | NAP | OAT | 178.6° | 180.0° |
| CAF | CAG | CAH | H5 | 180.0° | 179.9° |
| CAF | CAG | CAH | CAI | 179.9° | 180.0° |
| CAG | CAF | NAP | NAO | 180.0° | 180.0° |
| CAF | CAG | CAH | H7 | 0.1° | 0.0° |
| NAP | CAF | CAG | CAH | 0.5° | 0.1° |
| NAP | CAF | CAG | H5 | 179.5° | 180.0° |
| OAT | CAF | CAG | CAH | 179.0° | 180.0° |
| OAT | CAF | NAP | NAO | 1.5° | 0.0° |
| OAT | CAF | CAG | H5 | 1.0° | 0.1° |
| CAG | CAH | CAI | H7 | 180.0° | 180.0° |
| CAG | CAH | CAI | CAJ | 9.5° | 180.0° |
| CAG | CAH | CAI | CAN | 173.1° | 0.3° |
| CAH | CAI | CAJ | CAN | 177.6° | 179.7° |
| CAH | CAI | CAJ | CAK | 179.8° | 180.0° |
| CAH | CAI | CAN | CAM | 179.4° | 179.8° |
| CAI | CAH | CAG | H5 | 0.1° | 0.1° |
| CAH | CAI | CAJ | H9 | 0.2° | 0.1° |
| CAH | CAI | CAN | H13 | 0.6° | 0.1° |
| CAI | CAJ | CAK | H9 | 180.0° | 179.9° |
| CAI | CAJ | CAK | CAL | 0.6° | 0.0° |
| CAJ | CAI | CAN | CAM | 3.2° | 0.6° |
| CAJ | CAI | CAH | H7 | 170.5° | 0.0° |
| CAI | CAJ | CAK | H10 | 179.5° | 180.0° |
| CAJ | CAI | CAN | H13 | 176.8° | 179.7° |
| CAN | CAI | CAJ | CAK | 2.6° | 0.3° |
| CAI | CAN | CAM | CAL | 1.9° | 0.5° |
| CAI | CAN | CAM | H13 | 180.0° | 179.7° |
| CAN | CAI | CAH | H7 | 6.9° | 179.7° |
| CAN | CAI | CAJ | H9 | 177.4° | 179.8° |
| CAI | CAN | CAM | H12 | 178.1° | 179.7° |
| CAJ | CAK | CAL | H10 | 180.0° | 180.0° |
| CAJ | CAK | CAL | CAM | 0.8° | 0.0° |
| CAJ | CAK | CAL | H11 | 179.2° | 180.0° |
| CAK | CAL | CAM | H11 | 180.0° | 180.0° |
| CAK | CAL | CAM | CAN | 0.2° | 0.2° |
| CAL | CAK | CAJ | H9 | 179.4° | 179.9° |
| CAK | CAL | CAM | H12 | 179.8° | 180.0° |
| CAL | CAM | CAN | H12 | 180.0° | 179.8° |
| CAM | CAL | CAK | H10 | 179.1° | 180.0° |
| CAL | CAM | CAN | H13 | 178.1° | 179.8° |
| CAN | CAM | CAL | H11 | 179.8° | 179.7° |
| CAU | NAV | OAW | OAX | 175.3° | 180.0° |
| NAV | CAU | CAA | H1 | 1.1° | 0.3° |
| SAQ | CAU | NAV | OAW | 3.4° | 180.0° |
| SAQ | CAU | NAV | OAX | 171.6° | 0.1° |
| SAQ | CAU | CAA | H1 | 178.2° | 179.8° |
| H1 | CAA | CAB | H3 | 0.8° | 0.3° |
| H5 | CAG | CAH | H7 | 179.9° | 179.9° |
| H9 | CAJ | CAK | H10 | 0.5° | 0.1° |
| H10 | CAK | CAL | H11 | 0.9° | 0.0° |
| H11 | CAL | CAM | H12 | 0.2° | 0.0° |
| H12 | CAM | CAN | H13 | 1.9° | 0.0° |
