4T7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | CAF | doub | 1.36Å | 1.40Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | CAL | sing | 1.41Å | 1.41Å | Aromatic |
| CAD | CAG | doub | 1.36Å | 1.40Å | Aromatic |
| CAL | CAH | doub | 1.41Å | 1.40Å | Aromatic |
| CAL | CAM | sing | 1.42Å | 1.39Å | Aromatic |
| CAH | CAE | sing | 1.36Å | 1.39Å | Aromatic |
| CAG | CAM | sing | 1.41Å | 1.39Å | Aromatic |
| CAM | CAI | doub | 1.41Å | 1.40Å | Aromatic |
| CAE | CAK | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAK | sing | 1.36Å | 1.40Å | Aromatic |
| CAK | CAN | sing | 1.51Å | 1.46Å | |
| CAN | CAJ | sing | 1.53Å | 1.54Å | |
| CAN | OAB | sing | 1.43Å | 1.45Å | |
| CAJ | OAA | sing | 1.43Å | 1.44Å | |
| CAI | H1 | sing | 1.08Å | 1.08Å | |
| CAG | H2 | sing | 1.08Å | 1.08Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAE | H7 | sing | 1.08Å | 1.08Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| OAB | H9 | sing | 0.97Å | 0.95Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| CAJ | H11 | sing | 1.09Å | 1.10Å | |
| OAA | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAC | CAD | 119.1° | 121.0° |
| CAC | CAF | CAL | 120.3° | 119.7° |
| CAF | CAC | H4 | 120.4° | 119.5° |
| CAC | CAF | H5 | 119.8° | 120.2° |
| CAC | CAD | CAG | 120.4° | 121.0° |
| CAC | CAD | H3 | 119.8° | 119.5° |
| CAD | CAC | H4 | 120.4° | 119.5° |
| CAF | CAL | CAH | 120.9° | 121.3° |
| CAF | CAL | CAM | 120.3° | 119.3° |
| CAL | CAF | H5 | 119.9° | 120.2° |
| CAD | CAG | CAM | 120.5° | 119.6° |
| CAD | CAG | H2 | 119.7° | 120.2° |
| CAG | CAD | H3 | 119.8° | 119.5° |
| CAH | CAL | CAM | 118.7° | 119.4° |
| CAL | CAH | CAE | 120.0° | 119.7° |
| CAL | CAH | H6 | 120.0° | 120.1° |
| CAL | CAM | CAG | 119.3° | 119.4° |
| CAL | CAM | CAI | 120.5° | 119.4° |
| CAH | CAE | CAK | 122.5° | 121.0° |
| CAE | CAH | H6 | 120.0° | 120.2° |
| CAH | CAE | H7 | 118.8° | 119.6° |
| CAG | CAM | CAI | 120.1° | 121.3° |
| CAM | CAG | H2 | 119.7° | 120.2° |
| CAM | CAI | CAK | 121.5° | 119.6° |
| CAM | CAI | H1 | 119.2° | 120.2° |
| CAE | CAK | CAI | 116.8° | 121.0° |
| CAE | CAK | CAN | 120.1° | 119.5° |
| CAK | CAE | H7 | 118.8° | 119.5° |
| CAI | CAK | CAN | 123.1° | 119.5° |
| CAK | CAI | H1 | 119.2° | 120.2° |
| CAK | CAN | CAJ | 112.6° | 109.5° |
| CAK | CAN | OAB | 115.0° | 109.5° |
| CAK | CAN | H8 | 107.6° | 109.4° |
| CAJ | CAN | OAB | 106.9° | 109.5° |
| CAN | CAJ | OAA | 111.0° | 109.4° |
| CAJ | CAN | H8 | 106.7° | 109.5° |
| CAN | CAJ | H10 | 109.1° | 109.4° |
| CAN | CAJ | H11 | 109.1° | 109.5° |
| OAB | CAN | H8 | 107.7° | 109.5° |
| CAN | OAB | H9 | 109.5° | 113.9° |
| OAA | CAJ | H10 | 109.1° | 109.5° |
| OAA | CAJ | H11 | 109.1° | 109.5° |
| CAJ | OAA | H12 | 109.5° | 114.0° |
| H10 | CAJ | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAC | CAD | H4 | 180.0° | 180.0° |
| CAC | CAF | CAL | H5 | 180.0° | 179.9° |
| CAF | CAC | CAD | CAG | 0.0° | 0.0° |
| CAC | CAF | CAL | CAH | 179.8° | 180.0° |
| CAC | CAF | CAL | CAM | 1.9° | 0.0° |
| CAF | CAC | CAD | H3 | 180.0° | 180.0° |
| CAD | CAC | CAF | CAL | 0.8° | 0.0° |
| CAC | CAD | CAG | H3 | 180.0° | 179.9° |
| CAC | CAD | CAG | CAM | 0.3° | 0.0° |
| CAC | CAD | CAG | H2 | 179.7° | 180.0° |
| CAD | CAC | CAF | H5 | 179.2° | 180.0° |
| CAF | CAL | CAH | CAM | 178.3° | 179.9° |
| CAF | CAL | CAH | CAE | 179.1° | 180.0° |
| CAF | CAL | CAM | CAG | 2.2° | 0.0° |
| CAF | CAL | CAM | CAI | 179.2° | 179.9° |
| CAL | CAF | CAC | H4 | 179.2° | 179.9° |
| CAF | CAL | CAH | H6 | 1.0° | 0.1° |
| CAD | CAG | CAM | CAL | 1.4° | 0.0° |
| CAD | CAG | CAM | H2 | 180.0° | 180.0° |
| CAD | CAG | CAM | CAI | 178.4° | 179.9° |
| CAG | CAD | CAC | H4 | 180.0° | 179.9° |
| CAL | CAH | CAE | H6 | 180.0° | 179.9° |
| CAH | CAL | CAM | CAG | 179.6° | 179.9° |
| CAH | CAL | CAM | CAI | 2.5° | 0.0° |
| CAL | CAH | CAE | CAK | 1.3° | 0.0° |
| CAH | CAL | CAF | H5 | 0.2° | 0.1° |
| CAL | CAH | CAE | H7 | 178.8° | 180.0° |
| CAM | CAL | CAH | CAE | 0.8° | 0.0° |
| CAL | CAM | CAG | CAI | 177.0° | 180.0° |
| CAL | CAM | CAI | CAK | 2.3° | 0.0° |
| CAL | CAM | CAI | H1 | 177.7° | 179.7° |
| CAL | CAM | CAG | H2 | 178.6° | 180.0° |
| CAM | CAL | CAF | H5 | 178.1° | 180.0° |
| CAM | CAL | CAH | H6 | 179.2° | 180.0° |
| CAH | CAE | CAK | H7 | 180.0° | 180.0° |
| CAH | CAE | CAK | CAI | 1.5° | 0.1° |
| CAH | CAE | CAK | CAN | 179.6° | 179.7° |
| CAG | CAM | CAI | CAK | 179.3° | 180.0° |
| CAG | CAM | CAI | H1 | 0.7° | 0.2° |
| CAM | CAG | CAD | H3 | 179.7° | 180.0° |
| CAM | CAI | CAK | CAE | 0.2° | 0.1° |
| CAM | CAI | CAK | H1 | 180.0° | 179.8° |
| CAM | CAI | CAK | CAN | 178.6° | 179.7° |
| CAI | CAM | CAG | H2 | 1.6° | 0.0° |
| CAE | CAK | CAI | CAN | 178.8° | 179.6° |
| CAE | CAK | CAN | CAJ | 98.1° | 84.7° |
| CAE | CAK | CAN | OAB | 139.2° | 35.3° |
| CAE | CAK | CAI | H1 | 179.8° | 179.7° |
| CAK | CAE | CAH | H6 | 178.7° | 179.9° |
| CAE | CAK | CAN | H8 | 19.2° | 155.3° |
| CAI | CAK | CAN | CAJ | 80.7° | 94.9° |
| CAI | CAK | CAN | OAB | 42.1° | 145.0° |
| CAI | CAK | CAE | H7 | 178.5° | 180.0° |
| CAI | CAK | CAN | H8 | 162.1° | 25.1° |
| CAK | CAN | CAJ | OAB | 127.2° | 120.0° |
| CAK | CAN | CAJ | H8 | 117.8° | 120.0° |
| CAK | CAN | OAB | H8 | 119.9° | 119.9° |
| CAK | CAN | CAJ | OAA | 179.7° | 175.0° |
| CAN | CAK | CAI | H1 | 1.4° | 0.1° |
| CAN | CAK | CAE | H7 | 0.4° | 0.3° |
| CAK | CAN | OAB | H9 | 180.0° | 60.0° |
| CAK | CAN | CAJ | H10 | 60.1° | 65.0° |
| CAK | CAN | CAJ | H11 | 59.5° | 55.0° |
| CAJ | CAN | OAB | H8 | 114.3° | 120.0° |
| CAN | CAJ | OAA | H10 | 120.2° | 120.0° |
| CAN | CAJ | OAA | H11 | 120.2° | 120.0° |
| CAJ | CAN | OAB | H9 | 54.2° | 60.0° |
| CAN | CAJ | H10 | H11 | 119.3° | 120.0° |
| CAN | CAJ | OAA | H12 | 180.0° | 180.0° |
| OAB | CAN | CAJ | OAA | 53.1° | 65.0° |
| OAB | CAN | CAJ | H10 | 67.1° | 55.0° |
| OAB | CAN | CAJ | H11 | 173.3° | 175.0° |
| OAA | CAJ | CAN | H8 | 61.9° | 55.0° |
| OAA | CAJ | H10 | H11 | 119.3° | 120.0° |
| H2 | CAG | CAD | H3 | 0.3° | 0.1° |
| H3 | CAD | CAC | H4 | 0.0° | 0.0° |
| H4 | CAC | CAF | H5 | 0.9° | 0.0° |
| H6 | CAH | CAE | H7 | 1.3° | 0.1° |
| H8 | CAN | OAB | H9 | 60.1° | 180.0° |
| H8 | CAN | CAJ | H10 | 177.9° | 175.0° |
| H8 | CAN | CAJ | H11 | 58.3° | 65.0° |
| H10 | CAJ | OAA | H12 | 59.8° | 60.1° |
| H11 | CAJ | OAA | H12 | 59.8° | 60.0° |
