65W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAN | CAG | doub | 1.36Å | 1.39Å | Aromatic |
| CAN | CAU | sing | 1.41Å | 1.41Å | Aromatic |
| CAG | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | CAU | doub | 1.41Å | 1.40Å | Aromatic |
| CAM | CAE | sing | 1.36Å | 1.39Å | Aromatic |
| CAU | CAV | sing | 1.42Å | 1.38Å | Aromatic |
| CAH | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAV | CAT | sing | 1.42Å | 1.40Å | Aromatic |
| CAV | CAO | doub | 1.40Å | 1.40Å | Aromatic |
| CAT | CAS | sing | 1.48Å | 1.52Å | |
| CAF | CAO | sing | 1.36Å | 1.39Å | Aromatic |
| CAS | CAL | doub | 1.40Å | 1.38Å | Aromatic |
| CAS | CAK | sing | 1.40Å | 1.38Å | Aromatic |
| CAL | CAJ | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAR | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | OAP | sing | 1.36Å | 1.41Å | |
| CAB | CAW | sing | 1.53Å | 1.51Å | |
| OAP | CAW | sing | 1.43Å | 1.41Å | |
| OAC | CAQ | doub | 1.21Å | 1.25Å | |
| CAQ | CAW | sing | 1.51Å | 1.51Å | |
| CAQ | OAD | sing | 1.34Å | 1.26Å | |
| CAW | CAA | sing | 1.53Å | 1.52Å | |
| OAD | H1 | sing | 0.97Å | 0.95Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAL | H9 | sing | 1.08Å | 1.08Å | |
| CAI | H10 | sing | 1.08Å | 1.08Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| CAO | H12 | sing | 1.08Å | 1.08Å | |
| CAF | H13 | sing | 1.08Å | 1.08Å | |
| CAE | H14 | sing | 1.08Å | 1.08Å | |
| CAM | H15 | sing | 1.08Å | 1.08Å | |
| CAN | H16 | sing | 1.08Å | 1.08Å | |
| CAG | H17 | sing | 1.08Å | 1.08Å | |
| CAH | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAN | CAU | 120.8° | 120.1° |
| CAN | CAG | CAH | 118.8° | 121.1° |
| CAG | CAN | H16 | 119.6° | 120.0° |
| CAN | CAG | H17 | 120.6° | 119.4° |
| CAN | CAU | CAM | 120.0° | 121.1° |
| CAN | CAU | CAV | 120.1° | 119.5° |
| CAU | CAN | H16 | 119.6° | 120.0° |
| CAG | CAH | CAT | 120.6° | 120.7° |
| CAH | CAG | H17 | 120.6° | 119.5° |
| CAG | CAH | H18 | 119.7° | 119.6° |
| CAU | CAM | CAE | 119.3° | 119.6° |
| CAM | CAU | CAV | 119.9° | 119.3° |
| CAU | CAM | H15 | 120.3° | 120.2° |
| CAM | CAE | CAF | 120.9° | 121.0° |
| CAM | CAE | H14 | 119.5° | 119.5° |
| CAE | CAM | H15 | 120.4° | 120.2° |
| CAU | CAV | CAT | 119.1° | 119.3° |
| CAU | CAV | CAO | 120.6° | 119.5° |
| CAH | CAT | CAV | 120.6° | 119.3° |
| CAH | CAT | CAS | 118.0° | 120.3° |
| CAT | CAH | H18 | 119.7° | 119.7° |
| CAE | CAF | CAO | 119.7° | 120.9° |
| CAE | CAF | H13 | 120.1° | 119.6° |
| CAF | CAE | H14 | 119.6° | 119.5° |
| CAT | CAV | CAO | 120.3° | 121.2° |
| CAV | CAT | CAS | 121.5° | 120.3° |
| CAV | CAO | CAF | 119.6° | 119.7° |
| CAV | CAO | H12 | 120.2° | 120.2° |
| CAT | CAS | CAL | 118.0° | 120.1° |
| CAT | CAS | CAK | 121.6° | 120.1° |
| CAF | CAO | H12 | 120.2° | 120.1° |
| CAO | CAF | H13 | 120.2° | 119.5° |
| CAL | CAS | CAK | 120.4° | 119.8° |
| CAS | CAL | CAJ | 120.0° | 119.9° |
| CAS | CAL | H9 | 120.0° | 120.0° |
| CAS | CAK | CAI | 119.5° | 119.9° |
| CAS | CAK | H11 | 120.3° | 120.0° |
| CAL | CAJ | CAR | 120.3° | 120.1° |
| CAL | CAJ | H8 | 119.9° | 119.9° |
| CAJ | CAL | H9 | 120.0° | 120.0° |
| CAK | CAI | CAR | 120.3° | 120.1° |
| CAK | CAI | H10 | 119.9° | 120.0° |
| CAI | CAK | H11 | 120.3° | 120.1° |
| CAJ | CAR | CAI | 119.6° | 120.2° |
| CAJ | CAR | OAP | 122.2° | 119.9° |
| CAR | CAJ | H8 | 119.9° | 120.0° |
| CAI | CAR | OAP | 118.2° | 119.9° |
| CAR | CAI | H10 | 119.9° | 119.9° |
| CAR | OAP | CAW | 120.3° | 117.0° |
| CAB | CAW | OAP | 112.9° | 109.5° |
| CAB | CAW | CAQ | 111.5° | 109.5° |
| CAB | CAW | CAA | 108.7° | 109.5° |
| CAW | CAB | H5 | 109.5° | 109.4° |
| CAW | CAB | H6 | 109.5° | 109.5° |
| CAW | CAB | H7 | 109.5° | 109.5° |
| OAP | CAW | CAQ | 108.4° | 109.4° |
| OAP | CAW | CAA | 108.3° | 109.5° |
| OAC | CAQ | CAW | 120.1° | 120.0° |
| OAC | CAQ | OAD | 120.8° | 120.1° |
| CAW | CAQ | OAD | 119.1° | 120.0° |
| CAQ | CAW | CAA | 106.8° | 109.5° |
| CAQ | OAD | H1 | 109.5° | 117.0° |
| CAW | CAA | H2 | 109.5° | 109.5° |
| CAW | CAA | H3 | 109.4° | 109.5° |
| CAW | CAA | H4 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H4 | 109.5° | 109.4° |
| H3 | CAA | H4 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.4° | 109.4° |
| H5 | CAB | H7 | 109.5° | 109.5° |
| H6 | CAB | H7 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAN | CAU | H16 | 180.0° | 179.8° |
| CAN | CAG | CAH | H17 | 180.0° | 179.8° |
| CAG | CAN | CAU | CAM | 180.0° | 180.0° |
| CAG | CAN | CAU | CAV | 0.1° | 0.1° |
| CAN | CAG | CAH | CAT | 0.3° | 0.5° |
| CAN | CAG | CAH | H18 | 179.6° | 180.0° |
| CAU | CAN | CAG | CAH | 0.2° | 0.2° |
| CAN | CAU | CAM | CAV | 179.9° | 179.9° |
| CAN | CAU | CAM | CAE | 179.9° | 180.0° |
| CAN | CAU | CAV | CAT | 0.4° | 0.0° |
| CAN | CAU | CAV | CAO | 180.0° | 180.0° |
| CAN | CAU | CAM | H15 | 0.1° | 0.1° |
| CAU | CAN | CAG | H17 | 179.8° | 180.0° |
| CAG | CAH | CAT | H18 | 180.0° | 179.6° |
| CAG | CAH | CAT | CAV | 0.1° | 0.5° |
| CAG | CAH | CAT | CAS | 179.4° | 179.7° |
| CAH | CAG | CAN | H16 | 179.8° | 180.0° |
| CAU | CAM | CAE | H15 | 180.0° | 179.9° |
| CAU | CAM | CAE | CAF | 0.1° | 0.1° |
| CAM | CAU | CAV | CAT | 179.7° | 179.9° |
| CAM | CAU | CAV | CAO | 0.1° | 0.0° |
| CAU | CAM | CAE | H14 | 179.9° | 179.9° |
| CAM | CAU | CAN | H16 | 0.0° | 0.2° |
| CAE | CAM | CAU | CAV | 0.0° | 0.1° |
| CAM | CAE | CAF | H14 | 180.0° | 179.9° |
| CAM | CAE | CAF | CAO | 0.2° | 0.0° |
| CAM | CAE | CAF | H13 | 179.8° | 180.0° |
| CAU | CAV | CAT | CAH | 0.2° | 0.3° |
| CAU | CAV | CAT | CAO | 179.7° | 180.0° |
| CAU | CAV | CAT | CAS | 179.7° | 180.0° |
| CAU | CAV | CAO | CAF | 0.1° | 0.0° |
| CAU | CAV | CAO | H12 | 179.8° | 180.0° |
| CAV | CAU | CAM | H15 | 180.0° | 180.0° |
| CAV | CAU | CAN | H16 | 179.9° | 179.8° |
| CAH | CAT | CAV | CAS | 179.5° | 179.7° |
| CAH | CAT | CAV | CAO | 179.9° | 179.7° |
| CAH | CAT | CAS | CAL | 66.6° | 50.2° |
| CAH | CAT | CAS | CAK | 112.2° | 130.0° |
| CAT | CAH | CAG | H17 | 179.6° | 179.7° |
| CAE | CAF | CAO | CAV | 0.2° | 0.0° |
| CAE | CAF | CAO | H13 | 180.0° | 179.9° |
| CAE | CAF | CAO | H12 | 179.8° | 180.0° |
| CAF | CAE | CAM | H15 | 179.9° | 180.0° |
| CAT | CAV | CAO | CAF | 179.8° | 180.0° |
| CAV | CAT | CAS | CAL | 112.9° | 130.1° |
| CAV | CAT | CAS | CAK | 68.3° | 49.7° |
| CAT | CAV | CAO | H12 | 0.2° | 0.0° |
| CAV | CAT | CAH | H18 | 179.9° | 179.9° |
| CAO | CAV | CAT | CAS | 0.6° | 0.0° |
| CAV | CAO | CAF | H12 | 180.0° | 180.0° |
| CAV | CAO | CAF | H13 | 179.8° | 179.9° |
| CAT | CAS | CAL | CAK | 178.8° | 179.8° |
| CAT | CAS | CAL | CAJ | 179.1° | 180.0° |
| CAT | CAS | CAK | CAI | 179.4° | 180.0° |
| CAT | CAS | CAL | H9 | 0.9° | 0.1° |
| CAT | CAS | CAK | H11 | 0.7° | 0.0° |
| CAS | CAT | CAH | H18 | 0.6° | 0.2° |
| CAO | CAF | CAE | H14 | 179.8° | 179.9° |
| CAS | CAL | CAJ | H9 | 180.0° | 179.9° |
| CAL | CAS | CAK | CAI | 0.6° | 0.2° |
| CAS | CAL | CAJ | CAR | 0.1° | 0.1° |
| CAS | CAL | CAJ | H8 | 179.9° | 180.0° |
| CAL | CAS | CAK | H11 | 179.4° | 179.8° |
| CAK | CAS | CAL | CAJ | 0.3° | 0.2° |
| CAS | CAK | CAI | H11 | 180.0° | 180.0° |
| CAS | CAK | CAI | CAR | 0.7° | 0.0° |
| CAK | CAS | CAL | H9 | 179.7° | 179.7° |
| CAS | CAK | CAI | H10 | 179.3° | 179.9° |
| CAL | CAJ | CAR | H8 | 180.0° | 179.9° |
| CAL | CAJ | CAR | CAI | 0.1° | 0.3° |
| CAL | CAJ | CAR | OAP | 179.8° | 179.9° |
| CAK | CAI | CAR | CAJ | 0.4° | 0.3° |
| CAK | CAI | CAR | H10 | 180.0° | 179.9° |
| CAK | CAI | CAR | OAP | 179.5° | 180.0° |
| CAJ | CAR | CAI | OAP | 179.9° | 179.7° |
| CAJ | CAR | OAP | CAW | 24.7° | 174.3° |
| CAR | CAJ | CAL | H9 | 179.9° | 180.0° |
| CAJ | CAR | CAI | H10 | 179.6° | 179.8° |
| CAI | CAR | OAP | CAW | 155.2° | 6.0° |
| CAI | CAR | CAJ | H8 | 179.9° | 179.8° |
| CAR | CAI | CAK | H11 | 179.4° | 180.0° |
| CAR | OAP | CAW | CAB | 50.5° | 178.3° |
| CAR | OAP | CAW | CAQ | 73.5° | 61.7° |
| CAR | OAP | CAW | CAA | 171.0° | 58.3° |
| OAP | CAR | CAJ | H8 | 0.2° | 0.1° |
| OAP | CAR | CAI | H10 | 0.5° | 0.1° |
| CAB | CAW | OAP | CAQ | 124.0° | 120.0° |
| CAB | CAW | OAP | CAA | 120.5° | 120.0° |
| CAB | CAW | CAQ | OAC | 29.7° | 120.0° |
| CAB | CAW | CAQ | CAA | 118.6° | 120.0° |
| CAB | CAW | CAQ | OAD | 150.5° | 59.7° |
| CAB | CAW | CAA | H2 | 180.0° | 67.4° |
| CAB | CAW | CAA | H3 | 60.0° | 52.6° |
| CAB | CAW | CAA | H4 | 60.0° | 172.6° |
| CAW | CAB | H5 | H6 | 120.0° | 119.9° |
| CAW | CAB | H5 | H7 | 120.0° | 120.0° |
| CAW | CAB | H6 | H7 | 120.0° | 120.0° |
| OAP | CAW | CAQ | OAC | 154.6° | 0.1° |
| OAP | CAW | CAQ | CAA | 116.5° | 120.0° |
| OAP | CAW | CAQ | OAD | 25.6° | 179.7° |
| OAP | CAW | CAA | H2 | 56.9° | 172.6° |
| OAP | CAW | CAA | H3 | 176.9° | 67.4° |
| OAP | CAW | CAA | H4 | 63.1° | 52.6° |
| OAP | CAW | CAB | H5 | 180.0° | 55.1° |
| OAP | CAW | CAB | H6 | 60.0° | 64.8° |
| OAP | CAW | CAB | H7 | 60.0° | 175.1° |
| OAC | CAQ | CAW | OAD | 179.8° | 179.6° |
| OAC | CAQ | CAW | CAA | 88.9° | 120.0° |
| OAC | CAQ | OAD | H1 | 0.0° | 0.0° |
| CAW | CAQ | OAD | H1 | 179.8° | 179.7° |
| CAQ | CAW | CAA | H2 | 59.6° | 52.6° |
| CAQ | CAW | CAA | H3 | 60.4° | 172.6° |
| CAQ | CAW | CAA | H4 | 179.6° | 67.3° |
| CAQ | CAW | CAB | H5 | 57.7° | 64.8° |
| CAQ | CAW | CAB | H6 | 62.3° | 175.2° |
| CAQ | CAW | CAB | H7 | 177.7° | 55.1° |
| OAD | CAQ | CAW | CAA | 90.9° | 60.3° |
| CAW | CAA | H2 | H3 | 120.0° | 120.0° |
| CAW | CAA | H2 | H4 | 120.0° | 120.0° |
| CAW | CAA | H3 | H4 | 120.0° | 120.1° |
| CAA | CAW | CAB | H5 | 59.7° | 175.1° |
| CAA | CAW | CAB | H6 | 179.7° | 55.2° |
| CAA | CAW | CAB | H7 | 60.3° | 64.9° |
| H2 | CAA | H3 | H4 | 120.0° | 119.9° |
| H5 | CAB | H6 | H7 | 120.0° | 120.0° |
| H8 | CAJ | CAL | H9 | 0.1° | 0.1° |
| H10 | CAI | CAK | H11 | 0.6° | 0.1° |
| H12 | CAO | CAF | H13 | 0.2° | 0.1° |
| H13 | CAF | CAE | H14 | 0.2° | 0.1° |
| H14 | CAE | CAM | H15 | 0.1° | 0.1° |
| H16 | CAN | CAG | H17 | 0.2° | 0.2° |
| H17 | CAG | CAH | H18 | 0.4° | 0.1° |
