43O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAM | CAF | sing | 1.36Å | 1.36Å | |
| CAF | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAA | CAB | doub | 1.40Å | 1.34Å | Aromatic |
| CAD | CAC | doub | 1.39Å | 1.33Å | Aromatic |
| CAB | CAC | sing | 1.41Å | 1.36Å | Aromatic |
| CAB | CAI | sing | 1.46Å | 1.32Å | Aromatic |
| OAP | CAO | doub | 1.21Å | 1.22Å | |
| CAS | OAR | sing | 1.43Å | 1.44Å | |
| CAC | NAG | sing | 1.38Å | 1.34Å | Aromatic |
| CAJ | CAI | sing | 1.51Å | 1.52Å | |
| CAJ | CAK | sing | 1.53Å | 1.52Å | |
| CAI | CAH | doub | 1.34Å | 1.33Å | Aromatic |
| CAO | CAQ | sing | 1.51Å | 1.49Å | |
| CAO | NAL | sing | 1.35Å | 1.32Å | |
| OAR | CAQ | sing | 1.43Å | 1.42Å | |
| NAL | CAK | sing | 1.47Å | 1.45Å | |
| NAG | CAH | sing | 1.37Å | 1.32Å | Aromatic |
| CAH | CAN | sing | 1.51Å | 1.51Å | |
| CAN | H1 | sing | 1.09Å | 1.10Å | |
| CAN | H2 | sing | 1.09Å | 1.10Å | |
| CAN | H3 | sing | 1.09Å | 1.10Å | |
| NAG | H4 | sing | 0.97Å | 1.00Å | |
| CAD | H5 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| OAM | H7 | sing | 0.97Å | 0.95Å | |
| CAA | H8 | sing | 1.08Å | 1.08Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| CAK | H11 | sing | 1.09Å | 1.10Å | |
| CAK | H12 | sing | 1.09Å | 1.10Å | |
| NAL | H13 | sing | 0.97Å | 1.00Å | |
| CAQ | H14 | sing | 1.09Å | 1.10Å | |
| CAQ | H15 | sing | 1.09Å | 1.10Å | |
| CAS | H16 | sing | 1.09Å | 1.10Å | |
| CAS | H17 | sing | 1.09Å | 1.10Å | |
| CAS | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAM | CAF | CAE | 120.8° | 119.9° |
| OAM | CAF | CAA | 120.3° | 119.9° |
| CAF | OAM | H7 | 109.5° | 114.0° |
| CAE | CAF | CAA | 118.9° | 120.2° |
| CAF | CAE | CAD | 119.1° | 120.7° |
| CAF | CAE | H6 | 120.4° | 119.7° |
| CAF | CAA | CAB | 119.4° | 119.6° |
| CAF | CAA | H8 | 120.3° | 120.2° |
| CAE | CAD | CAC | 120.0° | 120.0° |
| CAE | CAD | H5 | 120.0° | 120.0° |
| CAD | CAE | H6 | 120.5° | 119.7° |
| CAA | CAB | CAC | 122.1° | 119.9° |
| CAA | CAB | CAI | 131.5° | 134.0° |
| CAB | CAA | H8 | 120.3° | 120.2° |
| CAD | CAC | CAB | 120.4° | 119.6° |
| CAD | CAC | NAG | 130.6° | 133.4° |
| CAC | CAD | H5 | 120.0° | 120.0° |
| CAC | CAB | CAI | 106.2° | 106.1° |
| CAB | CAC | NAG | 109.0° | 107.1° |
| CAB | CAI | CAJ | 126.2° | 126.4° |
| CAB | CAI | CAH | 108.8° | 107.1° |
| OAP | CAO | CAQ | 123.5° | 120.0° |
| OAP | CAO | NAL | 121.9° | 120.1° |
| CAS | OAR | CAQ | 105.1° | 114.0° |
| OAR | CAS | H16 | 109.5° | 109.5° |
| OAR | CAS | H17 | 109.4° | 109.5° |
| OAR | CAS | H18 | 109.5° | 109.5° |
| CAC | NAG | CAH | 106.5° | 109.8° |
| CAC | NAG | H4 | 126.8° | 125.1° |
| CAI | CAJ | CAK | 110.6° | 109.5° |
| CAJ | CAI | CAH | 124.5° | 126.5° |
| CAI | CAJ | H9 | 109.2° | 109.4° |
| CAI | CAJ | H10 | 109.2° | 109.5° |
| CAJ | CAK | NAL | 106.5° | 109.4° |
| CAK | CAJ | H9 | 109.2° | 109.5° |
| CAK | CAJ | H10 | 109.2° | 109.5° |
| CAJ | CAK | H11 | 110.3° | 109.4° |
| CAJ | CAK | H12 | 110.2° | 109.5° |
| CAI | CAH | NAG | 109.3° | 110.0° |
| CAI | CAH | CAN | 124.8° | 125.0° |
| CAQ | CAO | NAL | 114.5° | 120.0° |
| CAO | CAQ | OAR | 110.5° | 109.5° |
| CAO | CAQ | H14 | 109.2° | 109.4° |
| CAO | CAQ | H15 | 109.2° | 109.5° |
| CAO | NAL | CAK | 124.0° | 120.0° |
| CAO | NAL | H13 | 118.0° | 120.0° |
| OAR | CAQ | H14 | 109.2° | 109.5° |
| OAR | CAQ | H15 | 109.2° | 109.5° |
| NAL | CAK | H11 | 110.2° | 109.5° |
| NAL | CAK | H12 | 110.2° | 109.5° |
| CAK | NAL | H13 | 118.0° | 120.0° |
| NAG | CAH | CAN | 125.9° | 125.0° |
| CAH | NAG | H4 | 126.7° | 125.1° |
| CAH | CAN | H1 | 109.5° | 109.5° |
| CAH | CAN | H2 | 109.5° | 109.5° |
| CAH | CAN | H3 | 109.5° | 109.5° |
| H1 | CAN | H2 | 109.5° | 109.5° |
| H1 | CAN | H3 | 109.5° | 109.4° |
| H2 | CAN | H3 | 109.5° | 109.5° |
| H9 | CAJ | H10 | 109.5° | 109.5° |
| H11 | CAK | H12 | 109.5° | 109.5° |
| H14 | CAQ | H15 | 109.5° | 109.5° |
| H16 | CAS | H17 | 109.5° | 109.5° |
| H16 | CAS | H18 | 109.4° | 109.4° |
| H17 | CAS | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAM | CAF | CAE | CAA | 177.8° | 180.0° |
| OAM | CAF | CAE | CAD | 179.5° | 180.0° |
| OAM | CAF | CAA | CAB | 179.7° | 180.0° |
| OAM | CAF | CAE | H6 | 0.5° | 0.0° |
| OAM | CAF | CAA | H8 | 0.3° | 0.0° |
| CAF | CAE | CAD | H6 | 180.0° | 180.0° |
| CAE | CAF | CAA | CAB | 2.5° | 0.1° |
| CAF | CAE | CAD | CAC | 0.4° | 0.0° |
| CAF | CAE | CAD | H5 | 179.6° | 179.9° |
| CAE | CAF | OAM | H7 | 180.0° | 90.0° |
| CAE | CAF | CAA | H8 | 177.5° | 180.0° |
| CAA | CAF | CAE | CAD | 1.7° | 0.0° |
| CAF | CAA | CAB | H8 | 180.0° | 180.0° |
| CAF | CAA | CAB | CAC | 1.2° | 0.0° |
| CAF | CAA | CAB | CAI | 174.1° | 179.8° |
| CAA | CAF | CAE | H6 | 178.3° | 179.9° |
| CAA | CAF | OAM | H7 | 2.2° | 90.0° |
| CAE | CAD | CAC | H5 | 180.0° | 179.9° |
| CAE | CAD | CAC | CAB | 1.7° | 0.0° |
| CAE | CAD | CAC | NAG | 178.1° | 180.0° |
| CAA | CAB | CAC | CAD | 1.0° | 0.0° |
| CAA | CAB | CAC | CAI | 176.4° | 179.8° |
| CAA | CAB | CAC | NAG | 178.9° | 180.0° |
| CAA | CAB | CAI | CAJ | 7.5° | 0.1° |
| CAA | CAB | CAI | CAH | 179.5° | 179.9° |
| CAD | CAC | CAB | NAG | 179.9° | 180.0° |
| CAD | CAC | CAB | CAI | 177.3° | 179.8° |
| CAD | CAC | NAG | CAH | 179.6° | 180.0° |
| CAD | CAC | NAG | H4 | 0.4° | 0.0° |
| CAC | CAD | CAE | H6 | 179.6° | 180.0° |
| CAC | CAB | CAI | CAJ | 176.6° | 179.7° |
| CAC | CAB | CAI | CAH | 4.6° | 0.3° |
| CAB | CAC | NAG | CAH | 0.5° | 0.0° |
| CAB | CAC | NAG | H4 | 179.5° | 180.0° |
| CAB | CAC | CAD | H5 | 178.2° | 180.0° |
| CAC | CAB | CAA | H8 | 178.8° | 180.0° |
| CAI | CAB | CAC | NAG | 2.5° | 0.2° |
| CAB | CAI | CAJ | CAH | 170.8° | 180.0° |
| CAB | CAI | CAJ | CAK | 115.7° | 90.0° |
| CAB | CAI | CAH | NAG | 5.1° | 0.3° |
| CAB | CAI | CAH | CAN | 176.9° | 179.9° |
| CAI | CAB | CAA | H8 | 5.9° | 0.3° |
| CAB | CAI | CAJ | H9 | 124.2° | 150.0° |
| CAB | CAI | CAJ | H10 | 4.5° | 30.0° |
| OAP | CAO | CAQ | NAL | 175.1° | 180.0° |
| OAP | CAO | CAQ | OAR | 16.8° | 0.0° |
| OAP | CAO | NAL | CAK | 166.8° | 0.0° |
| OAP | CAO | NAL | H13 | 13.2° | 180.0° |
| OAP | CAO | CAQ | H14 | 137.0° | 120.0° |
| OAP | CAO | CAQ | H15 | 103.3° | 120.0° |
| CAS | OAR | CAQ | CAO | 148.0° | 180.0° |
| CAS | OAR | CAQ | H14 | 91.9° | 60.0° |
| CAS | OAR | CAQ | H15 | 27.8° | 60.0° |
| OAR | CAS | H16 | H17 | 120.0° | 120.0° |
| OAR | CAS | H16 | H18 | 120.0° | 120.0° |
| OAR | CAS | H17 | H18 | 120.0° | 120.0° |
| CAC | NAG | CAH | CAI | 3.4° | 0.2° |
| CAC | NAG | CAH | H4 | 180.0° | 180.0° |
| CAC | NAG | CAH | CAN | 178.6° | 180.0° |
| NAG | CAC | CAD | H5 | 1.9° | 0.0° |
| CAI | CAJ | CAK | H9 | 120.2° | 120.0° |
| CAI | CAJ | CAK | H10 | 120.2° | 120.0° |
| CAI | CAJ | CAK | NAL | 114.1° | 180.0° |
| CAJ | CAI | CAH | NAG | 177.3° | 179.7° |
| CAJ | CAI | CAH | CAN | 4.7° | 0.1° |
| CAI | CAJ | H9 | H10 | 119.5° | 120.0° |
| CAI | CAJ | CAK | H11 | 5.4° | 60.0° |
| CAI | CAJ | CAK | H12 | 126.4° | 60.0° |
| CAK | CAJ | CAI | CAH | 73.6° | 90.0° |
| CAJ | CAK | NAL | CAO | 92.8° | 180.0° |
| CAJ | CAK | NAL | H11 | 119.6° | 120.0° |
| CAJ | CAK | NAL | H12 | 119.5° | 120.0° |
| CAK | CAJ | H9 | H10 | 119.5° | 120.0° |
| CAJ | CAK | H11 | H12 | 121.4° | 120.0° |
| CAJ | CAK | NAL | H13 | 87.2° | 0.0° |
| CAI | CAH | NAG | CAN | 177.9° | 179.8° |
| CAI | CAH | CAN | H1 | 88.9° | 90.3° |
| CAI | CAH | CAN | H2 | 151.2° | 29.7° |
| CAI | CAH | CAN | H3 | 31.2° | 149.7° |
| CAI | CAH | NAG | H4 | 176.6° | 179.8° |
| CAH | CAI | CAJ | H9 | 46.6° | 30.0° |
| CAH | CAI | CAJ | H10 | 166.2° | 149.9° |
| CAO | CAQ | OAR | H14 | 120.1° | 120.0° |
| CAO | CAQ | OAR | H15 | 120.2° | 120.0° |
| CAQ | CAO | NAL | CAK | 8.3° | 180.0° |
| CAQ | CAO | NAL | H13 | 171.7° | 0.0° |
| CAO | CAQ | H14 | H15 | 119.5° | 120.0° |
| NAL | CAO | CAQ | OAR | 168.1° | 180.0° |
| CAO | NAL | CAK | H13 | 180.0° | 180.0° |
| CAO | NAL | CAK | H11 | 147.7° | 60.0° |
| CAO | NAL | CAK | H12 | 26.8° | 60.0° |
| NAL | CAO | CAQ | H14 | 48.0° | 60.0° |
| NAL | CAO | CAQ | H15 | 71.7° | 59.9° |
| OAR | CAQ | H14 | H15 | 119.5° | 120.1° |
| CAQ | OAR | CAS | H16 | 180.0° | 60.0° |
| CAQ | OAR | CAS | H17 | 60.0° | 60.0° |
| CAQ | OAR | CAS | H18 | 60.0° | 180.0° |
| NAL | CAK | CAJ | H9 | 125.7° | 60.0° |
| NAL | CAK | CAJ | H10 | 6.1° | 60.0° |
| NAL | CAK | H11 | H12 | 121.4° | 120.0° |
| NAG | CAH | CAN | H1 | 88.8° | 89.9° |
| NAG | CAH | CAN | H2 | 31.2° | 150.0° |
| NAG | CAH | CAN | H3 | 151.2° | 30.0° |
| CAH | CAN | H1 | H2 | 120.0° | 120.0° |
| CAH | CAN | H1 | H3 | 120.0° | 120.0° |
| CAH | CAN | H2 | H3 | 120.0° | 120.0° |
| CAN | CAH | NAG | H4 | 1.4° | 0.0° |
| H1 | CAN | H2 | H3 | 120.0° | 120.0° |
| H5 | CAD | CAE | H6 | 0.4° | 0.1° |
| H9 | CAJ | CAK | H11 | 114.7° | 180.0° |
| H9 | CAJ | CAK | H12 | 6.2° | 59.9° |
| H10 | CAJ | CAK | H11 | 125.6° | 60.0° |
| H10 | CAJ | CAK | H12 | 113.4° | 180.0° |
| H11 | CAK | NAL | H13 | 32.3° | 120.0° |
| H12 | CAK | NAL | H13 | 153.3° | 120.0° |
| H16 | CAS | H17 | H18 | 120.0° | 120.0° |
