0XV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAF | doub | 1.38Å | 1.42Å | Aromatic |
| CAE | CAD | sing | 1.39Å | 1.42Å | Aromatic |
| CAF | CAA | sing | 1.39Å | 1.42Å | Aromatic |
| CAO | CAN | sing | 1.51Å | 1.53Å | |
| CAD | CAC | doub | 1.38Å | 1.41Å | Aromatic |
| OAK | CAJ | doub | 1.22Å | 1.23Å | |
| CAM | CAN | doub | 1.38Å | 1.42Å | Aromatic |
| CAM | CAL | sing | 1.40Å | 1.42Å | Aromatic |
| CAN | CAP | sing | 1.39Å | 1.43Å | Aromatic |
| CAA | CAG | sing | 1.48Å | 1.40Å | Aromatic |
| CAA | CAB | doub | 1.40Å | 1.41Å | Aromatic |
| CAJ | CAL | sing | 1.48Å | 1.56Å | |
| CAJ | CAG | sing | 1.47Å | 1.55Å | |
| CAL | CAU | doub | 1.40Å | 1.43Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 1.42Å | Aromatic |
| CAP | OAW | sing | 1.36Å | 1.37Å | |
| CAP | CAQ | doub | 1.39Å | 1.42Å | Aromatic |
| CAG | CAI | doub | 1.36Å | 1.40Å | Aromatic |
| CAB | OAH | sing | 1.35Å | 1.36Å | Aromatic |
| CAU | CAQ | sing | 1.38Å | 1.42Å | Aromatic |
| CAQ | CAT | sing | 1.51Å | 1.53Å | |
| CAI | OAH | sing | 1.34Å | 1.37Å | Aromatic |
| CAI | CAV | sing | 1.51Å | 1.53Å | |
| CAV | H1 | sing | 1.09Å | 1.10Å | |
| CAV | H2 | sing | 1.09Å | 1.10Å | |
| CAV | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å | |
| CAD | H5 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| CAM | H8 | sing | 1.08Å | 1.08Å | |
| CAO | H9 | sing | 1.09Å | 1.10Å | |
| CAO | H10 | sing | 1.09Å | 1.10Å | |
| CAO | H11 | sing | 1.09Å | 1.10Å | |
| OAW | H12 | sing | 0.97Å | 0.95Å | |
| CAT | H13 | sing | 1.09Å | 1.10Å | |
| CAT | H14 | sing | 1.09Å | 1.10Å | |
| CAT | H15 | sing | 1.09Å | 1.10Å | |
| CAU | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAE | CAD | 120.4° | 120.2° |
| CAE | CAF | CAA | 119.5° | 119.7° |
| CAF | CAE | H6 | 119.8° | 120.0° |
| CAE | CAF | H7 | 120.2° | 120.1° |
| CAE | CAD | CAC | 120.0° | 120.7° |
| CAE | CAD | H5 | 120.0° | 119.6° |
| CAD | CAE | H6 | 119.8° | 119.9° |
| CAF | CAA | CAG | 133.1° | 134.3° |
| CAF | CAA | CAB | 120.1° | 120.3° |
| CAA | CAF | H7 | 120.3° | 120.2° |
| CAO | CAN | CAM | 119.1° | 120.0° |
| CAO | CAN | CAP | 120.2° | 119.9° |
| CAN | CAO | H9 | 109.5° | 109.5° |
| CAN | CAO | H10 | 109.5° | 109.5° |
| CAN | CAO | H11 | 109.5° | 109.5° |
| CAD | CAC | CAB | 119.9° | 120.0° |
| CAD | CAC | H4 | 120.0° | 120.1° |
| CAC | CAD | H5 | 120.0° | 119.7° |
| OAK | CAJ | CAL | 118.6° | 120.0° |
| OAK | CAJ | CAG | 118.2° | 120.0° |
| CAN | CAM | CAL | 120.3° | 119.9° |
| CAM | CAN | CAP | 120.7° | 120.1° |
| CAN | CAM | H8 | 119.9° | 120.0° |
| CAM | CAL | CAJ | 119.4° | 120.1° |
| CAM | CAL | CAU | 119.0° | 119.8° |
| CAL | CAM | H8 | 119.9° | 120.0° |
| CAN | CAP | OAW | 120.2° | 119.9° |
| CAN | CAP | CAQ | 119.0° | 120.2° |
| CAG | CAA | CAB | 106.8° | 105.4° |
| CAA | CAG | CAJ | 125.4° | 127.1° |
| CAA | CAG | CAI | 107.3° | 105.7° |
| CAA | CAB | CAC | 120.1° | 119.2° |
| CAA | CAB | OAH | 108.3° | 107.6° |
| CAL | CAJ | CAG | 123.2° | 120.0° |
| CAJ | CAL | CAU | 121.6° | 120.1° |
| CAJ | CAG | CAI | 127.3° | 127.2° |
| CAL | CAU | CAQ | 120.6° | 119.9° |
| CAL | CAU | H16 | 119.7° | 120.1° |
| CAC | CAB | OAH | 131.6° | 133.1° |
| CAB | CAC | H4 | 120.0° | 120.0° |
| OAW | CAP | CAQ | 120.9° | 119.9° |
| CAP | OAW | H12 | 109.5° | 114.0° |
| CAP | CAQ | CAU | 120.5° | 120.1° |
| CAP | CAQ | CAT | 120.3° | 120.0° |
| CAG | CAI | OAH | 108.6° | 109.8° |
| CAG | CAI | CAV | 129.9° | 125.1° |
| CAB | OAH | CAI | 109.0° | 111.4° |
| CAU | CAQ | CAT | 119.3° | 119.9° |
| CAQ | CAU | H16 | 119.7° | 120.0° |
| CAQ | CAT | H13 | 109.5° | 109.5° |
| CAQ | CAT | H14 | 109.5° | 109.5° |
| CAQ | CAT | H15 | 109.4° | 109.4° |
| OAH | CAI | CAV | 121.5° | 125.1° |
| CAI | CAV | H1 | 109.5° | 109.5° |
| CAI | CAV | H2 | 109.4° | 109.5° |
| CAI | CAV | H3 | 109.5° | 109.5° |
| H1 | CAV | H2 | 109.5° | 109.5° |
| H1 | CAV | H3 | 109.5° | 109.4° |
| H2 | CAV | H3 | 109.5° | 109.5° |
| H9 | CAO | H10 | 109.5° | 109.5° |
| H9 | CAO | H11 | 109.5° | 109.5° |
| H10 | CAO | H11 | 109.5° | 109.5° |
| H13 | CAT | H14 | 109.4° | 109.5° |
| H13 | CAT | H15 | 109.5° | 109.5° |
| H14 | CAT | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAE | CAD | H6 | 180.0° | 180.0° |
| CAE | CAF | CAA | H7 | 180.0° | 180.0° |
| CAF | CAE | CAD | CAC | 0.0° | 0.1° |
| CAE | CAF | CAA | CAG | 180.0° | 179.7° |
| CAE | CAF | CAA | CAB | 0.0° | 0.0° |
| CAF | CAE | CAD | H5 | 180.0° | 180.0° |
| CAD | CAE | CAF | CAA | 0.0° | 0.0° |
| CAE | CAD | CAC | H5 | 180.0° | 179.9° |
| CAE | CAD | CAC | CAB | 0.0° | 0.0° |
| CAE | CAD | CAC | H4 | 180.0° | 179.9° |
| CAD | CAE | CAF | H7 | 180.0° | 180.0° |
| CAF | CAA | CAG | CAB | 180.0° | 179.8° |
| CAF | CAA | CAG | CAJ | 0.0° | 0.0° |
| CAF | CAA | CAB | CAC | 0.1° | 0.1° |
| CAF | CAA | CAG | CAI | 179.9° | 179.9° |
| CAF | CAA | CAB | OAH | 179.9° | 180.0° |
| CAA | CAF | CAE | H6 | 180.0° | 180.0° |
| CAO | CAN | CAM | CAP | 180.0° | 180.0° |
| CAO | CAN | CAM | CAL | 180.0° | 180.0° |
| CAO | CAN | CAP | OAW | 0.1° | 0.1° |
| CAO | CAN | CAP | CAQ | 180.0° | 180.0° |
| CAO | CAN | CAM | H8 | 0.0° | 0.1° |
| CAN | CAO | H9 | H10 | 120.0° | 120.0° |
| CAN | CAO | H9 | H11 | 120.0° | 120.0° |
| CAN | CAO | H10 | H11 | 120.0° | 120.0° |
| CAD | CAC | CAB | CAA | 0.1° | 0.0° |
| CAD | CAC | CAB | H4 | 180.0° | 180.0° |
| CAD | CAC | CAB | OAH | 179.9° | 180.0° |
| CAC | CAD | CAE | H6 | 180.0° | 179.9° |
| OAK | CAJ | CAL | CAM | 0.8° | 174.5° |
| OAK | CAJ | CAG | CAA | 116.0° | 94.0° |
| OAK | CAJ | CAL | CAG | 179.6° | 179.9° |
| OAK | CAJ | CAL | CAU | 179.4° | 5.2° |
| OAK | CAJ | CAG | CAI | 63.9° | 85.9° |
| CAN | CAM | CAL | H8 | 180.0° | 179.9° |
| CAN | CAM | CAL | CAJ | 179.8° | 180.0° |
| CAN | CAM | CAL | CAU | 0.1° | 0.3° |
| CAM | CAN | CAP | OAW | 180.0° | 180.0° |
| CAM | CAN | CAP | CAQ | 0.0° | 0.0° |
| CAM | CAN | CAO | H9 | 90.0° | 90.0° |
| CAM | CAN | CAO | H10 | 150.0° | 150.0° |
| CAM | CAN | CAO | H11 | 30.0° | 30.0° |
| CAL | CAM | CAN | CAP | 0.0° | 0.0° |
| CAM | CAL | CAJ | CAU | 179.9° | 179.7° |
| CAM | CAL | CAJ | CAG | 179.6° | 5.6° |
| CAM | CAL | CAU | CAQ | 0.1° | 0.6° |
| CAM | CAL | CAU | H16 | 179.9° | 179.7° |
| CAN | CAP | OAW | CAQ | 179.9° | 179.9° |
| CAN | CAP | CAQ | CAU | 0.1° | 0.2° |
| CAN | CAP | CAQ | CAT | 180.0° | 179.9° |
| CAP | CAN | CAM | H8 | 179.9° | 179.9° |
| CAP | CAN | CAO | H9 | 90.0° | 90.0° |
| CAP | CAN | CAO | H10 | 30.0° | 30.0° |
| CAP | CAN | CAO | H11 | 150.0° | 150.0° |
| CAN | CAP | OAW | H12 | 180.0° | 89.9° |
| CAA | CAG | CAJ | CAL | 64.4° | 85.9° |
| CAA | CAG | CAJ | CAI | 179.8° | 179.9° |
| CAG | CAA | CAB | CAC | 180.0° | 179.8° |
| CAG | CAA | CAB | OAH | 0.0° | 0.2° |
| CAA | CAG | CAI | OAH | 0.1° | 0.3° |
| CAA | CAG | CAI | CAV | 179.8° | 179.9° |
| CAG | CAA | CAF | H7 | 0.0° | 0.3° |
| CAB | CAA | CAG | CAJ | 179.9° | 179.8° |
| CAA | CAB | CAC | OAH | 180.0° | 179.9° |
| CAB | CAA | CAG | CAI | 0.1° | 0.3° |
| CAA | CAB | OAH | CAI | 0.0° | 0.0° |
| CAA | CAB | CAC | H4 | 179.9° | 180.0° |
| CAB | CAA | CAF | H7 | 179.9° | 179.9° |
| CAL | CAJ | CAG | CAI | 115.7° | 94.2° |
| CAJ | CAL | CAU | CAQ | 179.8° | 179.8° |
| CAJ | CAL | CAM | H8 | 0.2° | 0.1° |
| CAJ | CAL | CAU | H16 | 0.2° | 0.1° |
| CAG | CAJ | CAL | CAU | 0.2° | 174.8° |
| CAJ | CAG | CAI | OAH | 179.9° | 179.8° |
| CAJ | CAG | CAI | CAV | 0.1° | 0.0° |
| CAL | CAU | CAQ | CAP | 0.1° | 0.5° |
| CAL | CAU | CAQ | H16 | 180.0° | 179.7° |
| CAL | CAU | CAQ | CAT | 180.0° | 179.8° |
| CAU | CAL | CAM | H8 | 179.9° | 179.8° |
| CAC | CAB | OAH | CAI | 180.0° | 180.0° |
| CAB | CAC | CAD | H5 | 180.0° | 179.9° |
| OAW | CAP | CAQ | CAU | 180.0° | 179.7° |
| OAW | CAP | CAQ | CAT | 0.1° | 0.0° |
| CAP | CAQ | CAU | CAT | 180.0° | 179.7° |
| CAQ | CAP | OAW | H12 | 0.1° | 90.0° |
| CAP | CAQ | CAT | H13 | 90.0° | 90.0° |
| CAP | CAQ | CAT | H14 | 150.0° | 150.0° |
| CAP | CAQ | CAT | H15 | 30.1° | 30.0° |
| CAP | CAQ | CAU | H16 | 179.9° | 179.8° |
| CAG | CAI | OAH | CAB | 0.0° | 0.2° |
| CAG | CAI | OAH | CAV | 179.9° | 179.7° |
| CAG | CAI | CAV | H1 | 179.8° | 175.3° |
| CAG | CAI | CAV | H2 | 60.1° | 64.7° |
| CAG | CAI | CAV | H3 | 59.8° | 55.3° |
| CAB | OAH | CAI | CAV | 179.8° | 180.0° |
| OAH | CAB | CAC | H4 | 0.1° | 0.1° |
| CAU | CAQ | CAT | H13 | 90.0° | 89.7° |
| CAU | CAQ | CAT | H14 | 30.0° | 30.3° |
| CAU | CAQ | CAT | H15 | 150.0° | 150.3° |
| CAQ | CAT | H13 | H14 | 120.0° | 120.0° |
| CAQ | CAT | H13 | H15 | 120.0° | 119.9° |
| CAQ | CAT | H14 | H15 | 120.0° | 120.0° |
| CAT | CAQ | CAU | H16 | 0.0° | 0.1° |
| OAH | CAI | CAV | H1 | 0.0° | 4.4° |
| OAH | CAI | CAV | H2 | 120.0° | 115.6° |
| OAH | CAI | CAV | H3 | 120.0° | 124.4° |
| CAI | CAV | H1 | H2 | 120.0° | 120.0° |
| CAI | CAV | H1 | H3 | 120.0° | 120.0° |
| CAI | CAV | H2 | H3 | 120.0° | 120.0° |
| H1 | CAV | H2 | H3 | 120.0° | 120.0° |
| H4 | CAC | CAD | H5 | 0.1° | 0.0° |
| H5 | CAD | CAE | H6 | 0.0° | 0.0° |
| H6 | CAE | CAF | H7 | 0.0° | 0.0° |
| H9 | CAO | H10 | H11 | 120.0° | 120.0° |
| H13 | CAT | H14 | H15 | 120.0° | 120.0° |
