OJ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAE | CAX | sing | 1.40Å | 1.34Å | |
| OAR | CAX | sing | 1.43Å | 1.40Å | |
| OAR | CAU | sing | 1.36Å | 1.41Å | |
| CAX | FAD | sing | 1.40Å | 1.34Å | |
| CAX | FAC | sing | 1.40Å | 1.34Å | |
| CAU | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAU | CAM | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAT | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| OAA | CAS | doub | 1.22Å | 1.22Å | |
| CAL | CAW | sing | 1.39Å | 1.41Å | Aromatic |
| CAT | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAT | NAP | sing | 1.40Å | 1.41Å | |
| CAF | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAS | NAP | sing | 1.35Å | 1.41Å | |
| CAS | NAQ | sing | 1.35Å | 1.42Å | |
| CAN | OAB | sing | 1.43Å | 1.41Å | |
| CAN | CAO | sing | 1.53Å | 1.52Å | |
| CAW | NAQ | sing | 1.40Å | 1.43Å | |
| CAW | CAV | doub | 1.39Å | 1.40Å | Aromatic |
| CAK | CAV | sing | 1.38Å | 1.40Å | Aromatic |
| CAV | CAO | sing | 1.51Å | 1.53Å | |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| CAJ | H2 | sing | 1.08Å | 1.08Å | |
| CAH | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| NAP | H5 | sing | 0.97Å | 1.00Å | |
| NAQ | H6 | sing | 0.97Å | 1.00Å | |
| CAL | H7 | sing | 1.08Å | 1.08Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAK | H10 | sing | 1.08Å | 1.08Å | |
| CAO | H11 | sing | 1.09Å | 1.10Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| CAN | H14 | sing | 1.09Å | 1.10Å | |
| OAB | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAE | CAX | OAR | 107.2° | 109.4° |
| FAE | CAX | FAD | 110.4° | 109.5° |
| FAE | CAX | FAC | 108.6° | 109.5° |
| CAX | OAR | CAU | 118.8° | 116.9° |
| OAR | CAX | FAD | 107.5° | 109.5° |
| OAR | CAX | FAC | 111.3° | 109.5° |
| OAR | CAU | CAJ | 120.1° | 120.1° |
| OAR | CAU | CAM | 119.5° | 119.9° |
| FAD | CAX | FAC | 111.7° | 109.5° |
| CAJ | CAU | CAM | 119.7° | 120.0° |
| CAU | CAJ | CAH | 119.8° | 120.1° |
| CAU | CAJ | H2 | 120.1° | 119.9° |
| CAU | CAM | CAT | 120.8° | 119.8° |
| CAU | CAM | H1 | 119.6° | 120.1° |
| CAJ | CAH | CAI | 120.0° | 120.1° |
| CAH | CAJ | H2 | 120.1° | 119.9° |
| CAJ | CAH | H3 | 120.0° | 120.0° |
| CAM | CAT | CAI | 118.4° | 119.9° |
| CAM | CAT | NAP | 122.3° | 120.0° |
| CAT | CAM | H1 | 119.6° | 120.1° |
| CAH | CAI | CAT | 120.5° | 120.1° |
| CAI | CAH | H3 | 120.0° | 119.9° |
| CAH | CAI | H4 | 119.7° | 120.0° |
| CAL | CAG | CAF | 120.0° | 120.1° |
| CAG | CAL | CAW | 120.6° | 119.9° |
| CAG | CAL | H7 | 119.7° | 120.0° |
| CAL | CAG | H8 | 120.0° | 120.0° |
| CAG | CAF | CAK | 119.2° | 120.1° |
| CAF | CAG | H8 | 120.0° | 120.0° |
| CAG | CAF | H9 | 120.4° | 119.9° |
| OAA | CAS | NAP | 122.6° | 120.0° |
| OAA | CAS | NAQ | 122.5° | 120.0° |
| CAL | CAW | NAQ | 122.9° | 120.1° |
| CAL | CAW | CAV | 119.0° | 119.9° |
| CAW | CAL | H7 | 119.8° | 120.0° |
| CAI | CAT | NAP | 117.1° | 120.1° |
| CAT | CAI | H4 | 119.8° | 120.0° |
| CAT | NAP | CAS | 127.8° | 120.0° |
| CAT | NAP | H5 | 116.1° | 120.0° |
| CAF | CAK | CAV | 121.4° | 120.1° |
| CAK | CAF | H9 | 120.4° | 119.9° |
| CAF | CAK | H10 | 119.3° | 119.9° |
| NAP | CAS | NAQ | 114.8° | 120.0° |
| CAS | NAP | H5 | 116.1° | 120.0° |
| CAS | NAQ | CAW | 128.2° | 120.0° |
| CAS | NAQ | H6 | 115.9° | 120.1° |
| OAB | CAN | CAO | 108.2° | 109.5° |
| OAB | CAN | H13 | 109.8° | 109.4° |
| OAB | CAN | H14 | 109.8° | 109.5° |
| CAN | OAB | H15 | 109.5° | 114.0° |
| CAN | CAO | CAV | 112.5° | 109.5° |
| CAN | CAO | H11 | 108.7° | 109.5° |
| CAN | CAO | H12 | 108.7° | 109.5° |
| CAO | CAN | H13 | 109.8° | 109.5° |
| CAO | CAN | H14 | 109.8° | 109.5° |
| NAQ | CAW | CAV | 117.2° | 120.1° |
| CAW | NAQ | H6 | 115.9° | 120.0° |
| CAW | CAV | CAK | 119.2° | 119.9° |
| CAW | CAV | CAO | 121.1° | 120.0° |
| CAK | CAV | CAO | 119.5° | 120.0° |
| CAV | CAK | H10 | 119.3° | 120.0° |
| CAV | CAO | H11 | 108.7° | 109.5° |
| CAV | CAO | H12 | 108.7° | 109.4° |
| H11 | CAO | H12 | 109.5° | 109.5° |
| H13 | CAN | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAE | CAX | OAR | FAD | 118.6° | 120.0° |
| FAE | CAX | OAR | FAC | 118.7° | 120.0° |
| FAE | CAX | OAR | CAU | 177.2° | 60.1° |
| FAE | CAX | FAD | FAC | 121.0° | 120.0° |
| OAR | CAX | FAD | FAC | 122.4° | 120.0° |
| CAX | OAR | CAU | CAJ | 99.4° | 0.1° |
| CAX | OAR | CAU | CAM | 90.6° | 179.7° |
| CAU | OAR | CAX | FAD | 64.1° | 59.9° |
| CAU | OAR | CAX | FAC | 58.6° | 180.0° |
| OAR | CAU | CAJ | CAM | 170.0° | 179.8° |
| OAR | CAU | CAJ | CAH | 171.3° | 180.0° |
| OAR | CAU | CAM | CAT | 176.8° | 180.0° |
| OAR | CAU | CAM | H1 | 3.2° | 0.1° |
| OAR | CAU | CAJ | H2 | 8.7° | 0.0° |
| CAU | CAJ | CAH | H2 | 180.0° | 180.0° |
| CAJ | CAU | CAM | CAT | 6.7° | 0.2° |
| CAU | CAJ | CAH | CAI | 0.3° | 0.0° |
| CAJ | CAU | CAM | H1 | 173.3° | 179.7° |
| CAU | CAJ | CAH | H3 | 179.7° | 180.0° |
| CAM | CAU | CAJ | CAH | 1.3° | 0.2° |
| CAU | CAM | CAT | H1 | 180.0° | 180.0° |
| CAU | CAM | CAT | CAI | 10.9° | 0.0° |
| CAU | CAM | CAT | NAP | 173.5° | 180.0° |
| CAM | CAU | CAJ | H2 | 178.7° | 179.8° |
| CAJ | CAH | CAI | H3 | 180.0° | 180.0° |
| CAJ | CAH | CAI | CAT | 4.8° | 0.2° |
| CAJ | CAH | CAI | H4 | 175.2° | 179.9° |
| CAM | CAT | CAI | CAH | 9.9° | 0.2° |
| CAM | CAT | CAI | NAP | 163.5° | 180.0° |
| CAM | CAT | NAP | CAS | 3.2° | 33.8° |
| CAM | CAT | CAI | H4 | 170.0° | 179.9° |
| CAM | CAT | NAP | H5 | 176.8° | 146.3° |
| CAH | CAI | CAT | H4 | 180.0° | 179.7° |
| CAH | CAI | CAT | NAP | 173.4° | 179.8° |
| CAI | CAH | CAJ | H2 | 179.7° | 180.0° |
| CAL | CAG | CAF | H8 | 180.0° | 180.0° |
| CAG | CAL | CAW | H7 | 180.0° | 179.9° |
| CAL | CAG | CAF | CAK | 0.3° | 0.0° |
| CAG | CAL | CAW | NAQ | 178.0° | 180.0° |
| CAG | CAL | CAW | CAV | 8.9° | 0.3° |
| CAL | CAG | CAF | H9 | 179.7° | 180.0° |
| CAF | CAG | CAL | CAW | 4.3° | 0.0° |
| CAG | CAF | CAK | H9 | 180.0° | 180.0° |
| CAG | CAF | CAK | CAV | 0.9° | 0.2° |
| CAF | CAG | CAL | H7 | 175.6° | 179.9° |
| CAG | CAF | CAK | H10 | 179.1° | 180.0° |
| OAA | CAS | NAP | CAT | 9.9° | 5.1° |
| OAA | CAS | NAP | NAQ | 178.9° | 179.9° |
| OAA | CAS | NAQ | CAW | 2.6° | 4.5° |
| OAA | CAS | NAP | H5 | 170.1° | 174.8° |
| OAA | CAS | NAQ | H6 | 177.4° | 175.4° |
| CAL | CAW | NAQ | CAS | 5.5° | 32.6° |
| CAL | CAW | NAQ | CAV | 169.3° | 179.7° |
| CAL | CAW | CAV | CAK | 9.3° | 0.5° |
| CAL | CAW | CAV | CAO | 176.0° | 179.7° |
| CAL | CAW | NAQ | H6 | 174.5° | 147.3° |
| CAW | CAL | CAG | H8 | 175.7° | 180.0° |
| CAI | CAT | NAP | CAS | 166.0° | 146.2° |
| CAI | CAT | CAM | H1 | 169.1° | 180.0° |
| CAT | CAI | CAH | H3 | 175.3° | 179.8° |
| CAI | CAT | NAP | H5 | 14.0° | 33.8° |
| CAT | NAP | CAS | H5 | 180.0° | 179.9° |
| CAT | NAP | CAS | NAQ | 169.0° | 174.9° |
| NAP | CAT | CAM | H1 | 6.5° | 0.0° |
| NAP | CAT | CAI | H4 | 6.5° | 0.1° |
| CAF | CAK | CAV | CAW | 5.5° | 0.5° |
| CAF | CAK | CAV | H10 | 180.0° | 179.8° |
| CAF | CAK | CAV | CAO | 179.8° | 179.7° |
| CAK | CAF | CAG | H8 | 179.7° | 180.0° |
| NAP | CAS | NAQ | CAW | 176.3° | 175.4° |
| NAP | CAS | NAQ | H6 | 3.7° | 4.6° |
| CAS | NAQ | CAW | H6 | 180.0° | 180.0° |
| CAS | NAQ | CAW | CAV | 174.8° | 147.0° |
| NAQ | CAS | NAP | H5 | 11.0° | 5.1° |
| OAB | CAN | CAO | H13 | 119.8° | 120.0° |
| OAB | CAN | CAO | H14 | 119.8° | 120.0° |
| OAB | CAN | CAO | CAV | 157.6° | 180.0° |
| OAB | CAN | CAO | H11 | 81.9° | 60.0° |
| OAB | CAN | CAO | H12 | 37.2° | 60.0° |
| OAB | CAN | H13 | H14 | 120.6° | 120.0° |
| CAN | CAO | CAV | CAW | 73.7° | 85.0° |
| CAN | CAO | CAV | CAK | 111.7° | 94.8° |
| CAN | CAO | CAV | H11 | 120.4° | 120.0° |
| CAN | CAO | CAV | H12 | 120.5° | 120.0° |
| CAN | CAO | H11 | H12 | 118.6° | 120.1° |
| CAO | CAN | H13 | H14 | 120.6° | 120.0° |
| CAO | CAN | OAB | H15 | 180.0° | 180.0° |
| NAQ | CAW | CAV | CAK | 179.0° | 179.8° |
| NAQ | CAW | CAV | CAO | 6.3° | 0.0° |
| NAQ | CAW | CAL | H7 | 2.0° | 0.1° |
| CAW | CAV | CAK | CAO | 174.7° | 179.8° |
| CAV | CAW | NAQ | H6 | 5.2° | 33.0° |
| CAV | CAW | CAL | H7 | 171.1° | 179.8° |
| CAW | CAV | CAK | H10 | 174.5° | 179.7° |
| CAW | CAV | CAO | H11 | 165.9° | 155.0° |
| CAW | CAV | CAO | H12 | 46.8° | 35.0° |
| CAV | CAK | CAF | H9 | 179.1° | 179.7° |
| CAK | CAV | CAO | H11 | 8.8° | 25.2° |
| CAK | CAV | CAO | H12 | 127.9° | 145.2° |
| CAO | CAV | CAK | H10 | 0.2° | 0.0° |
| CAV | CAO | H11 | H12 | 118.6° | 120.0° |
| CAV | CAO | CAN | H13 | 37.8° | 60.0° |
| CAV | CAO | CAN | H14 | 82.5° | 60.0° |
| H2 | CAJ | CAH | H3 | 0.3° | 0.0° |
| H3 | CAH | CAI | H4 | 4.8° | 0.1° |
| H7 | CAL | CAG | H8 | 4.4° | 0.0° |
| H8 | CAG | CAF | H9 | 0.3° | 0.0° |
| H9 | CAF | CAK | H10 | 0.9° | 0.0° |
| H11 | CAO | CAN | H13 | 158.3° | 180.0° |
| H11 | CAO | CAN | H14 | 37.9° | 60.0° |
| H12 | CAO | CAN | H13 | 82.6° | 60.0° |
| H12 | CAO | CAN | H14 | 157.0° | 180.0° |
| H13 | CAN | OAB | H15 | 60.2° | 60.0° |
| H14 | CAN | OAB | H15 | 60.2° | 59.9° |
