97K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAQ | NAP | sing | 1.40Å | 1.24Å | Aromatic |
| NAQ | CAR | sing | 1.34Å | 1.35Å | Aromatic |
| NAP | CAO | doub | 1.32Å | 1.34Å | Aromatic |
| CAR | CAS | doub | 1.38Å | 1.33Å | Aromatic |
| CAO | CAS | sing | 1.47Å | 1.35Å | Aromatic |
| CAO | CAN | sing | 1.41Å | 1.32Å | Aromatic |
| CAS | CAT | sing | 1.41Å | 1.37Å | Aromatic |
| CAN | CAM | doub | 1.35Å | 1.40Å | Aromatic |
| CAT | CAL | doub | 1.38Å | 1.41Å | Aromatic |
| CAM | CAL | sing | 1.41Å | 1.41Å | Aromatic |
| CAL | CAD | sing | 1.48Å | 1.43Å | |
| CAD | NAE | doub | 1.31Å | 1.33Å | |
| CAD | NAC | sing | 1.37Å | 1.38Å | |
| NAE | CAF | sing | 1.35Å | 1.35Å | |
| NAC | CAB | sing | 1.35Å | 1.38Å | |
| CAF | CAG | doub | 1.40Å | 1.37Å | Aromatic |
| CAF | CAK | sing | 1.41Å | 1.41Å | Aromatic |
| CAG | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | CAK | sing | 1.47Å | 1.39Å | |
| CAB | OAA | doub | 1.22Å | 1.21Å | |
| CAK | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAI | doub | 1.39Å | 1.41Å | Aromatic |
| CAJ | CAI | sing | 1.38Å | 1.41Å | Aromatic |
| CAT | H1 | sing | 1.08Å | 1.08Å | |
| CAR | H2 | sing | 1.08Å | 1.08Å | |
| NAQ | H3 | sing | 0.97Å | 1.00Å | |
| CAN | H4 | sing | 1.08Å | 1.08Å | |
| CAM | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.08Å | 1.08Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAI | H8 | sing | 1.08Å | 1.08Å | |
| CAJ | H9 | sing | 1.08Å | 1.08Å | |
| NAC | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAP | NAQ | CAR | 109.2° | 110.0° |
| NAQ | NAP | CAO | 109.1° | 109.1° |
| NAP | NAQ | H3 | 125.4° | 125.0° |
| NAQ | CAR | CAS | 108.5° | 107.8° |
| NAQ | CAR | H2 | 125.8° | 126.0° |
| CAR | NAQ | H3 | 125.4° | 125.0° |
| NAP | CAO | CAS | 108.7° | 106.7° |
| NAP | CAO | CAN | 130.1° | 134.5° |
| CAR | CAS | CAO | 104.4° | 106.4° |
| CAR | CAS | CAT | 132.8° | 134.6° |
| CAS | CAR | H2 | 125.7° | 126.1° |
| CAS | CAO | CAN | 121.1° | 118.9° |
| CAO | CAS | CAT | 122.8° | 118.9° |
| CAO | CAN | CAM | 119.6° | 119.9° |
| CAO | CAN | H4 | 120.2° | 120.0° |
| CAS | CAT | CAL | 118.4° | 119.4° |
| CAS | CAT | H1 | 120.8° | 120.3° |
| CAN | CAM | CAL | 120.6° | 121.7° |
| CAM | CAN | H4 | 120.2° | 120.1° |
| CAN | CAM | H5 | 119.7° | 119.1° |
| CAT | CAL | CAM | 117.3° | 121.2° |
| CAT | CAL | CAD | 123.7° | 119.4° |
| CAL | CAT | H1 | 120.8° | 120.3° |
| CAM | CAL | CAD | 118.6° | 119.4° |
| CAL | CAM | H5 | 119.7° | 119.2° |
| CAL | CAD | NAE | 119.8° | 118.5° |
| CAL | CAD | NAC | 120.6° | 118.5° |
| NAE | CAD | NAC | 119.2° | 123.0° |
| CAD | NAE | CAF | 121.8° | 121.7° |
| CAD | NAC | CAB | 121.1° | 120.4° |
| CAD | NAC | H10 | 119.5° | 119.8° |
| NAE | CAF | CAG | 117.5° | 121.5° |
| NAE | CAF | CAK | 121.0° | 119.2° |
| NAC | CAB | CAK | 119.4° | 117.5° |
| NAC | CAB | OAA | 116.9° | 121.3° |
| CAB | NAC | H10 | 119.4° | 119.8° |
| CAG | CAF | CAK | 121.4° | 119.3° |
| CAF | CAG | CAH | 119.8° | 119.7° |
| CAF | CAG | H6 | 120.1° | 120.2° |
| CAF | CAK | CAB | 117.3° | 118.2° |
| CAF | CAK | CAJ | 120.1° | 120.0° |
| CAG | CAH | CAI | 118.9° | 120.8° |
| CAH | CAG | H6 | 120.1° | 120.1° |
| CAG | CAH | H7 | 120.5° | 119.6° |
| CAK | CAB | OAA | 123.7° | 121.2° |
| CAB | CAK | CAJ | 122.6° | 121.8° |
| CAK | CAJ | CAI | 118.3° | 119.5° |
| CAK | CAJ | H9 | 120.9° | 120.2° |
| CAH | CAI | CAJ | 121.4° | 120.6° |
| CAI | CAH | H7 | 120.5° | 119.6° |
| CAH | CAI | H8 | 119.3° | 119.7° |
| CAJ | CAI | H8 | 119.3° | 119.7° |
| CAI | CAJ | H9 | 120.9° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAP | NAQ | CAR | H3 | 180.0° | 180.0° |
| NAP | NAQ | CAR | CAS | 1.6° | 0.0° |
| NAQ | NAP | CAO | CAS | 0.7° | 0.0° |
| NAQ | NAP | CAO | CAN | 179.3° | 180.0° |
| NAP | NAQ | CAR | H2 | 178.4° | 180.0° |
| CAR | NAQ | NAP | CAO | 0.5° | 0.0° |
| NAQ | CAR | CAS | H2 | 180.0° | 180.0° |
| NAQ | CAR | CAS | CAO | 1.9° | 0.0° |
| NAQ | CAR | CAS | CAT | 179.2° | 180.0° |
| NAP | CAO | CAS | CAR | 1.6° | 0.0° |
| NAP | CAO | CAS | CAN | 178.7° | 180.0° |
| NAP | CAO | CAS | CAT | 179.4° | 180.0° |
| NAP | CAO | CAN | CAM | 179.6° | 180.0° |
| CAO | NAP | NAQ | H3 | 179.4° | 180.0° |
| NAP | CAO | CAN | H4 | 0.4° | 0.0° |
| CAR | CAS | CAO | CAT | 179.0° | 180.0° |
| CAR | CAS | CAO | CAN | 179.7° | 180.0° |
| CAR | CAS | CAT | CAL | 176.8° | 180.0° |
| CAR | CAS | CAT | H1 | 3.2° | 0.3° |
| CAS | CAR | NAQ | H3 | 178.4° | 180.0° |
| CAS | CAO | CAN | CAM | 1.2° | 0.0° |
| CAO | CAS | CAT | CAL | 1.9° | 0.0° |
| CAO | CAS | CAT | H1 | 178.1° | 179.7° |
| CAO | CAS | CAR | H2 | 178.1° | 180.0° |
| CAS | CAO | CAN | H4 | 178.8° | 180.0° |
| CAN | CAO | CAS | CAT | 0.7° | 0.0° |
| CAO | CAN | CAM | H4 | 180.0° | 180.0° |
| CAO | CAN | CAM | CAL | 0.9° | 0.1° |
| CAO | CAN | CAM | H5 | 179.1° | 180.0° |
| CAS | CAT | CAL | H1 | 180.0° | 179.7° |
| CAS | CAT | CAL | CAM | 3.8° | 0.0° |
| CAS | CAT | CAL | CAD | 176.4° | 179.7° |
| CAT | CAS | CAR | H2 | 0.8° | 0.0° |
| CAN | CAM | CAL | CAT | 3.4° | 0.1° |
| CAN | CAM | CAL | H5 | 180.0° | 179.9° |
| CAN | CAM | CAL | CAD | 176.4° | 179.7° |
| CAT | CAL | CAM | CAD | 173.0° | 179.6° |
| CAT | CAL | CAD | NAE | 17.2° | 0.0° |
| CAT | CAL | CAD | NAC | 170.2° | 179.7° |
| CAT | CAL | CAM | H5 | 176.6° | 180.0° |
| CAM | CAL | CAD | NAE | 155.3° | 179.7° |
| CAM | CAL | CAD | NAC | 17.3° | 0.6° |
| CAM | CAL | CAT | H1 | 176.2° | 179.7° |
| CAL | CAM | CAN | H4 | 179.1° | 179.9° |
| CAL | CAD | NAE | NAC | 172.7° | 179.7° |
| CAL | CAD | NAE | CAF | 176.7° | 179.9° |
| CAL | CAD | NAC | CAB | 176.1° | 179.8° |
| CAD | CAL | CAT | H1 | 3.6° | 0.0° |
| CAD | CAL | CAM | H5 | 3.7° | 0.3° |
| CAL | CAD | NAC | H10 | 3.9° | 0.0° |
| NAE | CAD | NAC | CAB | 3.4° | 0.6° |
| CAD | NAE | CAF | CAG | 178.1° | 180.0° |
| CAD | NAE | CAF | CAK | 4.1° | 0.0° |
| NAE | CAD | NAC | H10 | 176.6° | 179.7° |
| NAC | CAD | NAE | CAF | 4.0° | 0.2° |
| CAD | NAC | CAB | H10 | 180.0° | 179.8° |
| CAD | NAC | CAB | CAK | 2.9° | 0.5° |
| CAD | NAC | CAB | OAA | 175.6° | 179.7° |
| NAE | CAF | CAG | CAK | 177.7° | 180.0° |
| NAE | CAF | CAG | CAH | 177.9° | 180.0° |
| NAE | CAF | CAK | CAB | 3.5° | 0.0° |
| NAE | CAF | CAK | CAJ | 179.0° | 180.0° |
| NAE | CAF | CAG | H6 | 2.1° | 0.0° |
| NAC | CAB | CAK | CAF | 2.9° | 0.2° |
| NAC | CAB | CAK | OAA | 178.4° | 179.8° |
| NAC | CAB | CAK | CAJ | 179.7° | 179.8° |
| CAF | CAG | CAH | H6 | 180.0° | 180.0° |
| CAG | CAF | CAK | CAB | 178.9° | 180.0° |
| CAG | CAF | CAK | CAJ | 1.4° | 0.0° |
| CAF | CAG | CAH | CAI | 0.2° | 0.0° |
| CAF | CAG | CAH | H7 | 179.8° | 180.0° |
| CAK | CAF | CAG | CAH | 0.1° | 0.0° |
| CAF | CAK | CAB | CAJ | 177.4° | 180.0° |
| CAF | CAK | CAB | OAA | 175.5° | 180.0° |
| CAF | CAK | CAJ | CAI | 2.6° | 0.0° |
| CAK | CAF | CAG | H6 | 179.9° | 180.0° |
| CAF | CAK | CAJ | H9 | 177.4° | 180.0° |
| CAG | CAH | CAI | H7 | 180.0° | 179.9° |
| CAG | CAH | CAI | CAJ | 1.6° | 0.0° |
| CAG | CAH | CAI | H8 | 178.4° | 180.0° |
| CAB | CAK | CAJ | CAI | 180.0° | 180.0° |
| CAB | CAK | CAJ | H9 | 0.0° | 0.0° |
| CAK | CAB | NAC | H10 | 177.1° | 179.7° |
| OAA | CAB | CAK | CAJ | 1.9° | 0.0° |
| OAA | CAB | NAC | H10 | 4.4° | 0.0° |
| CAK | CAJ | CAI | CAH | 2.8° | 0.0° |
| CAK | CAJ | CAI | H9 | 180.0° | 180.0° |
| CAK | CAJ | CAI | H8 | 177.2° | 180.0° |
| CAH | CAI | CAJ | H8 | 180.0° | 180.0° |
| CAI | CAH | CAG | H6 | 179.8° | 180.0° |
| CAH | CAI | CAJ | H9 | 177.2° | 180.0° |
| CAJ | CAI | CAH | H7 | 178.4° | 179.9° |
| H2 | CAR | NAQ | H3 | 1.6° | 0.0° |
| H4 | CAN | CAM | H5 | 0.9° | 0.0° |
| H6 | CAG | CAH | H7 | 0.2° | 0.0° |
| H7 | CAH | CAI | H8 | 1.6° | 0.0° |
| H8 | CAI | CAJ | H9 | 2.8° | 0.0° |
