4E2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | CAI | doub | 1.36Å | 1.38Å | Aromatic |
| CAG | CAN | sing | 1.39Å | 1.38Å | Aromatic |
| CAI | CAQ | sing | 1.41Å | 1.39Å | Aromatic |
| IAD | CAN | sing | 2.09Å | 2.07Å | |
| CAN | CAJ | doub | 1.36Å | 1.39Å | Aromatic |
| CAQ | NAK | doub | 1.34Å | 1.36Å | Aromatic |
| CAQ | CAR | sing | 1.42Å | 1.38Å | Aromatic |
| NAK | CAP | sing | 1.32Å | 1.40Å | Aromatic |
| OAA | CAM | doub | 1.21Å | 1.29Å | |
| CAJ | CAR | sing | 1.40Å | 1.38Å | Aromatic |
| CAR | CAU | doub | 1.41Å | 1.40Å | Aromatic |
| CAP | CAM | sing | 1.48Å | 1.34Å | |
| CAP | CAV | doub | 1.41Å | 1.44Å | Aromatic |
| CAM | OAB | sing | 1.35Å | 1.26Å | |
| CAU | CAV | sing | 1.40Å | 1.35Å | Aromatic |
| CAU | NAL | sing | 1.37Å | 1.34Å | Aromatic |
| CAV | CAS | sing | 1.47Å | 1.44Å | Aromatic |
| NAL | CAT | sing | 1.38Å | 1.37Å | Aromatic |
| CAS | CAT | doub | 1.40Å | 1.40Å | Aromatic |
| CAS | CAH | sing | 1.39Å | 1.42Å | Aromatic |
| CAT | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | CAE | doub | 1.38Å | 1.41Å | Aromatic |
| CAO | CLA | sing | 1.74Å | 1.78Å | |
| CAO | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| OAB | H1 | sing | 0.97Å | 0.95Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| CAG | H3 | sing | 1.08Å | 1.08Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| NAL | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAG | CAN | 118.6° | 121.1° |
| CAG | CAI | CAQ | 120.3° | 119.8° |
| CAG | CAI | H2 | 119.9° | 120.1° |
| CAI | CAG | H3 | 120.7° | 119.5° |
| CAG | CAN | IAD | 118.5° | 119.6° |
| CAG | CAN | CAJ | 121.3° | 120.8° |
| CAN | CAG | H3 | 120.7° | 119.4° |
| CAI | CAQ | NAK | 121.7° | 120.7° |
| CAI | CAQ | CAR | 120.9° | 118.9° |
| CAQ | CAI | H2 | 119.8° | 120.0° |
| IAD | CAN | CAJ | 120.2° | 119.6° |
| CAN | CAJ | CAR | 119.9° | 119.7° |
| CAN | CAJ | H4 | 120.0° | 120.1° |
| NAK | CAQ | CAR | 117.5° | 120.4° |
| CAQ | NAK | CAP | 117.9° | 122.0° |
| CAQ | CAR | CAJ | 119.0° | 119.7° |
| CAQ | CAR | CAU | 121.4° | 119.0° |
| NAK | CAP | CAM | 108.1° | 119.4° |
| NAK | CAP | CAV | 127.4° | 121.1° |
| OAA | CAM | CAP | 112.7° | 120.0° |
| OAA | CAM | OAB | 136.5° | 120.0° |
| CAJ | CAR | CAU | 119.6° | 121.3° |
| CAR | CAJ | H4 | 120.0° | 120.1° |
| CAR | CAU | CAV | 126.0° | 117.8° |
| CAR | CAU | NAL | 124.2° | 133.5° |
| CAM | CAP | CAV | 124.5° | 119.4° |
| CAP | CAM | OAB | 109.2° | 120.0° |
| CAP | CAV | CAU | 109.4° | 119.6° |
| CAP | CAV | CAS | 143.9° | 134.1° |
| CAM | OAB | H1 | 109.5° | 117.0° |
| CAV | CAU | NAL | 109.7° | 108.7° |
| CAU | CAV | CAS | 106.7° | 106.4° |
| CAU | NAL | CAT | 110.5° | 110.4° |
| CAU | NAL | H8 | 124.7° | 124.8° |
| CAV | CAS | CAT | 106.5° | 106.4° |
| CAV | CAS | CAH | 136.3° | 133.7° |
| NAL | CAT | CAS | 106.6° | 108.2° |
| NAL | CAT | CAO | 129.3° | 132.5° |
| CAT | NAL | H8 | 124.7° | 124.9° |
| CAT | CAS | CAH | 117.3° | 120.0° |
| CAS | CAT | CAO | 124.1° | 119.3° |
| CAS | CAH | CAE | 118.5° | 119.9° |
| CAS | CAH | H5 | 120.7° | 120.1° |
| CAT | CAO | CLA | 119.6° | 120.0° |
| CAT | CAO | CAF | 118.5° | 120.0° |
| CAH | CAE | CAF | 122.2° | 120.3° |
| CAE | CAH | H5 | 120.8° | 120.0° |
| CAH | CAE | H6 | 118.9° | 119.9° |
| CLA | CAO | CAF | 121.9° | 120.0° |
| CAO | CAF | CAE | 119.4° | 120.6° |
| CAO | CAF | H7 | 120.3° | 119.7° |
| CAF | CAE | H6 | 118.9° | 119.9° |
| CAE | CAF | H7 | 120.3° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAG | CAN | H3 | 180.0° | 179.9° |
| CAG | CAI | CAQ | H2 | 180.0° | 180.0° |
| CAI | CAG | CAN | IAD | 178.1° | 180.0° |
| CAI | CAG | CAN | CAJ | 1.5° | 0.2° |
| CAG | CAI | CAQ | NAK | 179.4° | 180.0° |
| CAG | CAI | CAQ | CAR | 0.8° | 0.0° |
| CAN | CAG | CAI | CAQ | 1.1° | 0.1° |
| CAG | CAN | IAD | CAJ | 179.6° | 179.9° |
| CAG | CAN | CAJ | CAR | 1.6° | 0.1° |
| CAN | CAG | CAI | H2 | 178.9° | 179.9° |
| CAG | CAN | CAJ | H4 | 178.4° | 180.0° |
| CAI | CAQ | NAK | CAR | 178.6° | 179.9° |
| CAI | CAQ | NAK | CAP | 175.5° | 180.0° |
| CAI | CAQ | CAR | CAJ | 0.8° | 0.0° |
| CAI | CAQ | CAR | CAU | 179.9° | 180.0° |
| CAQ | CAI | CAG | H3 | 178.9° | 180.0° |
| IAD | CAN | CAJ | CAR | 178.0° | 180.0° |
| IAD | CAN | CAG | H3 | 1.9° | 0.0° |
| IAD | CAN | CAJ | H4 | 1.9° | 0.1° |
| CAN | CAJ | CAR | CAQ | 1.2° | 0.1° |
| CAN | CAJ | CAR | H4 | 180.0° | 179.9° |
| CAN | CAJ | CAR | CAU | 179.5° | 179.9° |
| CAJ | CAN | CAG | H3 | 178.5° | 179.9° |
| NAK | CAQ | CAR | CAJ | 179.5° | 180.0° |
| NAK | CAQ | CAR | CAU | 1.2° | 0.1° |
| CAQ | NAK | CAP | CAM | 173.3° | 179.9° |
| CAQ | NAK | CAP | CAV | 7.3° | 0.3° |
| NAK | CAQ | CAI | H2 | 0.6° | 0.0° |
| CAR | CAQ | NAK | CAP | 5.9° | 0.0° |
| CAQ | CAR | CAJ | CAU | 179.3° | 180.0° |
| CAQ | CAR | CAU | CAV | 3.3° | 0.2° |
| CAQ | CAR | CAU | NAL | 176.9° | 180.0° |
| CAR | CAQ | CAI | H2 | 179.2° | 180.0° |
| CAQ | CAR | CAJ | H4 | 178.8° | 180.0° |
| NAK | CAP | CAM | OAA | 9.9° | 104.1° |
| NAK | CAP | CAM | CAV | 179.4° | 179.7° |
| NAK | CAP | CAM | OAB | 158.1° | 75.6° |
| NAK | CAP | CAV | CAU | 3.0° | 0.5° |
| NAK | CAP | CAV | CAS | 174.3° | 179.8° |
| OAA | CAM | CAP | OAB | 168.0° | 179.7° |
| OAA | CAM | CAP | CAV | 169.5° | 75.6° |
| OAA | CAM | OAB | H1 | 0.0° | 0.0° |
| CAJ | CAR | CAU | CAV | 176.0° | 179.8° |
| CAJ | CAR | CAU | NAL | 3.8° | 0.0° |
| CAR | CAU | CAV | CAP | 2.3° | 0.4° |
| CAR | CAU | CAV | NAL | 179.9° | 179.9° |
| CAR | CAU | CAV | CAS | 179.3° | 179.8° |
| CAR | CAU | NAL | CAT | 179.6° | 179.5° |
| CAU | CAR | CAJ | H4 | 0.5° | 0.1° |
| CAR | CAU | NAL | H8 | 0.4° | 0.0° |
| CAM | CAP | CAV | CAU | 177.7° | 179.8° |
| CAM | CAP | CAV | CAS | 4.9° | 0.1° |
| CAP | CAM | OAB | H1 | 163.9° | 179.7° |
| CAV | CAP | CAM | OAB | 22.5° | 104.7° |
| CAP | CAV | CAU | CAS | 178.4° | 179.8° |
| CAP | CAV | CAU | NAL | 177.8° | 179.7° |
| CAP | CAV | CAS | CAT | 176.7° | 179.9° |
| CAP | CAV | CAS | CAH | 2.4° | 0.0° |
| CAV | CAU | NAL | CAT | 0.2° | 0.4° |
| CAU | CAV | CAS | CAT | 0.7° | 0.2° |
| CAU | CAV | CAS | CAH | 179.8° | 179.8° |
| CAV | CAU | NAL | H8 | 179.8° | 179.9° |
| NAL | CAU | CAV | CAS | 0.5° | 0.1° |
| CAU | NAL | CAT | H8 | 180.0° | 179.5° |
| CAU | NAL | CAT | CAS | 0.2° | 0.5° |
| CAU | NAL | CAT | CAO | 179.3° | 179.9° |
| CAV | CAS | CAT | NAL | 0.5° | 0.4° |
| CAV | CAS | CAT | CAH | 179.3° | 180.0° |
| CAV | CAS | CAT | CAO | 179.7° | 179.9° |
| CAV | CAS | CAH | CAE | 179.7° | 180.0° |
| CAV | CAS | CAH | H5 | 0.3° | 0.1° |
| NAL | CAT | CAS | CAO | 179.2° | 179.6° |
| NAL | CAT | CAS | CAH | 179.8° | 179.6° |
| NAL | CAT | CAO | CLA | 0.6° | 0.5° |
| NAL | CAT | CAO | CAF | 179.5° | 179.4° |
| CAT | CAS | CAH | CAE | 0.7° | 0.0° |
| CAS | CAT | CAO | CLA | 179.6° | 180.0° |
| CAS | CAT | CAO | CAF | 0.5° | 0.1° |
| CAT | CAS | CAH | H5 | 179.3° | 180.0° |
| CAS | CAT | NAL | H8 | 179.8° | 180.0° |
| CAH | CAS | CAT | CAO | 1.0° | 0.1° |
| CAS | CAH | CAE | H5 | 180.0° | 179.9° |
| CAS | CAH | CAE | CAF | 0.1° | 0.0° |
| CAS | CAH | CAE | H6 | 179.8° | 180.0° |
| CAT | CAO | CLA | CAF | 179.9° | 179.9° |
| CAT | CAO | CAF | CAE | 0.4° | 0.0° |
| CAT | CAO | CAF | H7 | 179.6° | 180.0° |
| CAO | CAT | NAL | H8 | 0.7° | 0.4° |
| CAH | CAE | CAF | CAO | 0.7° | 0.0° |
| CAH | CAE | CAF | H6 | 180.0° | 180.0° |
| CAH | CAE | CAF | H7 | 179.3° | 180.0° |
| CLA | CAO | CAF | CAE | 179.5° | 180.0° |
| CLA | CAO | CAF | H7 | 0.5° | 0.1° |
| CAO | CAF | CAE | H7 | 180.0° | 179.9° |
| CAO | CAF | CAE | H6 | 179.3° | 180.0° |
| CAF | CAE | CAH | H5 | 179.8° | 179.9° |
| H2 | CAI | CAG | H3 | 1.1° | 0.0° |
| H5 | CAH | CAE | H6 | 0.2° | 0.1° |
| H6 | CAE | CAF | H7 | 0.7° | 0.1° |
