DJO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAM | sing | 1.38Å | 1.34Å | Aromatic |
| CAJ | CAG | doub | 1.38Å | 1.50Å | Aromatic |
| CAM | CAN | doub | 1.38Å | 1.56Å | Aromatic |
| CAG | CAF | sing | 1.51Å | 1.54Å | |
| CAG | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| CAN | CAK | sing | 1.38Å | 1.33Å | Aromatic |
| CAF | CAE | sing | 1.54Å | 1.47Å | |
| CAH | CAK | doub | 1.40Å | 1.51Å | Aromatic |
| CAH | NAD | sing | 1.40Å | 1.51Å | |
| CAE | NAD | sing | 1.46Å | 1.43Å | |
| CAE | CAI | sing | 1.53Å | 1.57Å | |
| OAA | CAI | sing | 1.43Å | 1.40Å | |
| NAD | CAL | sing | 1.35Å | 1.46Å | |
| CAS | CAQ | doub | 1.38Å | 1.52Å | Aromatic |
| CAS | CAU | sing | 1.38Å | 1.32Å | Aromatic |
| CAQ | CAP | sing | 1.38Å | 1.31Å | Aromatic |
| CAL | OAB | sing | 1.35Å | 1.40Å | |
| CAL | OAC | doub | 1.21Å | 1.19Å | |
| OAB | CAO | sing | 1.45Å | 1.40Å | |
| CAU | CAT | doub | 1.38Å | 1.52Å | Aromatic |
| CAP | CAO | sing | 1.51Å | 1.52Å | |
| CAP | CAR | doub | 1.38Å | 1.53Å | Aromatic |
| CAT | CAR | sing | 1.38Å | 1.31Å | Aromatic |
| CAE | H1 | sing | 1.09Å | 1.10Å | |
| CAF | H2 | sing | 1.09Å | 1.10Å | |
| CAF | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| CAI | H5 | sing | 1.09Å | 1.10Å | |
| CAJ | H6 | sing | 1.08Å | 1.08Å | |
| CAK | H7 | sing | 1.08Å | 1.08Å | |
| CAM | H8 | sing | 1.08Å | 1.08Å | |
| CAN | H9 | sing | 1.08Å | 1.08Å | |
| CAO | H10 | sing | 1.09Å | 1.10Å | |
| CAO | H11 | sing | 1.09Å | 1.10Å | |
| CAQ | H12 | sing | 1.08Å | 1.08Å | |
| CAR | H13 | sing | 1.08Å | 1.08Å | |
| CAS | H14 | sing | 1.08Å | 1.08Å | |
| CAT | H15 | sing | 1.08Å | 1.08Å | |
| CAU | H16 | sing | 1.08Å | 1.08Å | |
| OAA | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAM | CAJ | CAG | 119.8° | 120.2° |
| CAJ | CAM | CAN | 120.3° | 119.8° |
| CAM | CAJ | H6 | 120.1° | 119.9° |
| CAJ | CAM | H8 | 119.8° | 120.1° |
| CAJ | CAG | CAF | 130.8° | 131.0° |
| CAJ | CAG | CAH | 120.3° | 120.5° |
| CAG | CAJ | H6 | 120.1° | 119.9° |
| CAM | CAN | CAK | 119.8° | 120.2° |
| CAN | CAM | H8 | 119.9° | 120.1° |
| CAM | CAN | H9 | 120.1° | 119.9° |
| CAF | CAG | CAH | 108.9° | 108.5° |
| CAG | CAF | CAE | 103.8° | 104.6° |
| CAG | CAF | H2 | 110.8° | 110.4° |
| CAG | CAF | H3 | 110.9° | 110.5° |
| CAG | CAH | CAK | 119.9° | 119.0° |
| CAG | CAH | NAD | 108.4° | 111.6° |
| CAN | CAK | CAH | 120.0° | 120.3° |
| CAN | CAK | H7 | 120.0° | 119.8° |
| CAK | CAN | H9 | 120.1° | 119.9° |
| CAF | CAE | NAD | 109.3° | 105.2° |
| CAF | CAE | CAI | 108.3° | 110.3° |
| CAF | CAE | H1 | 109.8° | 110.3° |
| CAE | CAF | H2 | 110.9° | 110.4° |
| CAE | CAF | H3 | 110.8° | 110.4° |
| CAK | CAH | NAD | 131.7° | 129.3° |
| CAH | CAK | H7 | 120.0° | 119.9° |
| CAH | NAD | CAE | 107.1° | 110.1° |
| CAH | NAD | CAL | 124.8° | 125.0° |
| NAD | CAE | CAI | 110.4° | 110.3° |
| CAE | NAD | CAL | 128.1° | 125.0° |
| NAD | CAE | H1 | 110.5° | 110.3° |
| CAE | CAI | OAA | 106.8° | 109.4° |
| CAI | CAE | H1 | 108.6° | 110.3° |
| CAE | CAI | H4 | 110.1° | 109.5° |
| CAE | CAI | H5 | 110.1° | 109.5° |
| OAA | CAI | H4 | 110.1° | 109.5° |
| OAA | CAI | H5 | 110.2° | 109.5° |
| CAI | OAA | H17 | 109.5° | 114.0° |
| NAD | CAL | OAB | 121.0° | 120.0° |
| NAD | CAL | OAC | 119.7° | 120.0° |
| CAQ | CAS | CAU | 120.5° | 120.0° |
| CAS | CAQ | CAP | 118.7° | 120.1° |
| CAS | CAQ | H12 | 120.6° | 120.0° |
| CAQ | CAS | H14 | 119.7° | 120.1° |
| CAS | CAU | CAT | 121.0° | 120.0° |
| CAU | CAS | H14 | 119.8° | 120.0° |
| CAS | CAU | H16 | 119.5° | 120.0° |
| CAQ | CAP | CAO | 119.3° | 120.0° |
| CAQ | CAP | CAR | 120.4° | 120.0° |
| CAP | CAQ | H12 | 120.7° | 120.0° |
| OAB | CAL | OAC | 119.3° | 120.0° |
| CAL | OAB | CAO | 117.6° | 117.0° |
| OAB | CAO | CAP | 104.1° | 109.5° |
| OAB | CAO | H10 | 110.8° | 109.4° |
| OAB | CAO | H11 | 110.8° | 109.5° |
| CAU | CAT | CAR | 118.1° | 120.1° |
| CAU | CAT | H15 | 121.0° | 120.0° |
| CAT | CAU | H16 | 119.5° | 120.0° |
| CAO | CAP | CAR | 120.2° | 120.0° |
| CAP | CAO | H10 | 110.8° | 109.4° |
| CAP | CAO | H11 | 110.8° | 109.5° |
| CAP | CAR | CAT | 121.3° | 120.0° |
| CAP | CAR | H13 | 119.3° | 120.0° |
| CAT | CAR | H13 | 119.4° | 120.1° |
| CAR | CAT | H15 | 120.9° | 120.0° |
| H2 | CAF | H3 | 109.5° | 110.3° |
| H4 | CAI | H5 | 109.5° | 109.5° |
| H10 | CAO | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAM | CAJ | CAG | H6 | 180.0° | 180.0° |
| CAJ | CAM | CAN | H8 | 180.0° | 180.0° |
| CAM | CAJ | CAG | CAF | 179.9° | 180.0° |
| CAM | CAJ | CAG | CAH | 0.2° | 0.0° |
| CAJ | CAM | CAN | CAK | 0.1° | 0.1° |
| CAJ | CAM | CAN | H9 | 179.9° | 180.0° |
| CAG | CAJ | CAM | CAN | 0.2° | 0.0° |
| CAJ | CAG | CAF | CAH | 179.9° | 179.9° |
| CAJ | CAG | CAF | CAE | 170.5° | 179.9° |
| CAJ | CAG | CAH | CAK | 0.0° | 0.1° |
| CAJ | CAG | CAH | NAD | 179.8° | 180.0° |
| CAJ | CAG | CAF | H2 | 51.4° | 61.2° |
| CAJ | CAG | CAF | H3 | 70.4° | 61.2° |
| CAG | CAJ | CAM | H8 | 179.8° | 180.0° |
| CAM | CAN | CAK | H9 | 180.0° | 180.0° |
| CAM | CAN | CAK | CAH | 0.0° | 0.0° |
| CAN | CAM | CAJ | H6 | 179.8° | 179.9° |
| CAM | CAN | CAK | H7 | 180.0° | 179.9° |
| CAG | CAF | CAE | H2 | 119.1° | 118.8° |
| CAG | CAF | CAE | H3 | 119.1° | 119.0° |
| CAF | CAG | CAH | CAK | 179.9° | 180.0° |
| CAF | CAG | CAH | NAD | 0.1° | 0.0° |
| CAG | CAF | CAE | NAD | 15.5° | 0.0° |
| CAG | CAF | CAE | CAI | 135.8° | 118.9° |
| CAG | CAF | CAE | H1 | 105.8° | 119.0° |
| CAG | CAF | H2 | H3 | 122.6° | 122.5° |
| CAF | CAG | CAJ | H6 | 0.1° | 0.1° |
| CAG | CAH | CAK | CAN | 0.1° | 0.1° |
| CAH | CAG | CAF | CAE | 9.4° | 0.0° |
| CAG | CAH | CAK | NAD | 179.7° | 179.9° |
| CAG | CAH | NAD | CAE | 9.6° | 0.0° |
| CAG | CAH | NAD | CAL | 171.1° | 179.9° |
| CAH | CAG | CAF | H2 | 128.5° | 118.7° |
| CAH | CAG | CAF | H3 | 109.7° | 118.9° |
| CAH | CAG | CAJ | H6 | 179.8° | 180.0° |
| CAG | CAH | CAK | H7 | 179.9° | 180.0° |
| CAN | CAK | CAH | H7 | 180.0° | 179.9° |
| CAN | CAK | CAH | NAD | 179.8° | 180.0° |
| CAK | CAN | CAM | H8 | 179.9° | 180.0° |
| CAF | CAE | NAD | CAH | 15.9° | 0.0° |
| CAF | CAE | NAD | CAI | 119.0° | 118.9° |
| CAF | CAE | NAD | H1 | 120.9° | 118.9° |
| CAF | CAE | CAI | H1 | 119.2° | 122.1° |
| CAF | CAE | CAI | OAA | 17.7° | 177.8° |
| CAF | CAE | NAD | CAL | 164.9° | 179.9° |
| CAE | CAF | H2 | H3 | 122.6° | 122.3° |
| CAF | CAE | CAI | H4 | 101.8° | 57.8° |
| CAF | CAE | CAI | H5 | 137.3° | 62.3° |
| CAK | CAH | NAD | CAE | 170.1° | 180.0° |
| CAK | CAH | NAD | CAL | 9.1° | 0.0° |
| CAH | CAK | CAN | H9 | 180.0° | 180.0° |
| CAH | NAD | CAE | CAL | 179.2° | 180.0° |
| CAH | NAD | CAE | CAI | 134.9° | 118.9° |
| CAH | NAD | CAL | OAB | 116.5° | 0.0° |
| CAH | NAD | CAL | OAC | 61.4° | 180.0° |
| CAH | NAD | CAE | H1 | 105.0° | 119.0° |
| NAD | CAH | CAK | H7 | 0.2° | 0.1° |
| NAD | CAE | CAI | H1 | 121.2° | 122.1° |
| NAD | CAE | CAI | OAA | 137.3° | 66.5° |
| CAE | NAD | CAL | OAB | 62.6° | 180.0° |
| CAE | NAD | CAL | OAC | 119.4° | 0.0° |
| NAD | CAE | CAF | H2 | 134.6° | 118.8° |
| NAD | CAE | CAF | H3 | 103.6° | 118.9° |
| NAD | CAE | CAI | H4 | 17.8° | 173.5° |
| NAD | CAE | CAI | H5 | 103.1° | 53.5° |
| CAE | CAI | OAA | H4 | 119.6° | 120.0° |
| CAE | CAI | OAA | H5 | 119.6° | 120.0° |
| CAI | CAE | NAD | CAL | 45.8° | 61.1° |
| CAI | CAE | CAF | H2 | 105.1° | 0.2° |
| CAI | CAE | CAF | H3 | 16.7° | 122.1° |
| CAE | CAI | H4 | H5 | 121.2° | 120.0° |
| CAE | CAI | OAA | H17 | 180.0° | 180.0° |
| OAA | CAI | CAE | H1 | 101.5° | 55.7° |
| OAA | CAI | H4 | H5 | 121.2° | 120.0° |
| NAD | CAL | OAB | OAC | 178.0° | 180.0° |
| NAD | CAL | OAB | CAO | 85.7° | 180.0° |
| CAL | NAD | CAE | H1 | 74.2° | 61.0° |
| CAQ | CAS | CAU | H14 | 180.0° | 180.0° |
| CAS | CAQ | CAP | H12 | 180.0° | 179.9° |
| CAQ | CAS | CAU | CAT | 1.2° | 0.3° |
| CAS | CAQ | CAP | CAO | 178.9° | 180.0° |
| CAS | CAQ | CAP | CAR | 0.2° | 0.4° |
| CAQ | CAS | CAU | H16 | 178.8° | 180.0° |
| CAU | CAS | CAQ | CAP | 0.8° | 0.0° |
| CAS | CAU | CAT | H16 | 180.0° | 179.7° |
| CAS | CAU | CAT | CAR | 1.1° | 0.3° |
| CAU | CAS | CAQ | H12 | 179.2° | 180.0° |
| CAS | CAU | CAT | H15 | 178.9° | 179.7° |
| CAQ | CAP | CAO | OAB | 59.2° | 89.7° |
| CAQ | CAP | CAO | CAR | 178.7° | 179.7° |
| CAQ | CAP | CAR | CAT | 0.1° | 0.3° |
| CAQ | CAP | CAO | H10 | 59.9° | 30.2° |
| CAQ | CAP | CAO | H11 | 178.4° | 150.3° |
| CAQ | CAP | CAR | H13 | 179.9° | 179.7° |
| CAP | CAQ | CAS | H14 | 179.2° | 179.9° |
| CAL | OAB | CAO | CAP | 170.6° | 180.0° |
| CAL | OAB | CAO | H10 | 51.4° | 60.1° |
| CAL | OAB | CAO | H11 | 70.3° | 60.0° |
| OAC | CAL | OAB | CAO | 96.3° | 0.0° |
| OAB | CAO | CAP | H10 | 119.1° | 119.9° |
| OAB | CAO | CAP | H11 | 119.1° | 120.0° |
| OAB | CAO | CAP | CAR | 119.4° | 90.0° |
| OAB | CAO | H10 | H11 | 122.5° | 120.1° |
| CAU | CAT | CAR | CAP | 0.5° | 0.0° |
| CAU | CAT | CAR | H15 | 180.0° | 180.0° |
| CAU | CAT | CAR | H13 | 179.5° | 179.9° |
| CAT | CAU | CAS | H14 | 178.8° | 179.7° |
| CAO | CAP | CAR | CAT | 178.8° | 180.0° |
| CAP | CAO | H10 | H11 | 122.5° | 120.0° |
| CAO | CAP | CAQ | H12 | 1.1° | 0.0° |
| CAO | CAP | CAR | H13 | 1.2° | 0.0° |
| CAP | CAR | CAT | H13 | 180.0° | 180.0° |
| CAR | CAP | CAO | H10 | 121.4° | 150.1° |
| CAR | CAP | CAO | H11 | 0.3° | 30.0° |
| CAR | CAP | CAQ | H12 | 179.8° | 179.7° |
| CAP | CAR | CAT | H15 | 179.5° | 180.0° |
| CAR | CAT | CAU | H16 | 178.9° | 180.0° |
| H1 | CAE | CAF | H2 | 13.3° | 122.3° |
| H1 | CAE | CAF | H3 | 135.1° | 0.0° |
| H1 | CAE | CAI | H4 | 139.0° | 64.3° |
| H1 | CAE | CAI | H5 | 18.1° | 175.7° |
| H4 | CAI | OAA | H17 | 60.4° | 60.0° |
| H5 | CAI | OAA | H17 | 60.4° | 60.0° |
| H6 | CAJ | CAM | H8 | 0.2° | 0.0° |
| H7 | CAK | CAN | H9 | 0.0° | 0.0° |
| H8 | CAM | CAN | H9 | 0.1° | 0.0° |
| H12 | CAQ | CAS | H14 | 0.8° | 0.0° |
| H13 | CAR | CAT | H15 | 0.5° | 0.0° |
| H14 | CAS | CAU | H16 | 1.2° | 0.0° |
| H15 | CAT | CAU | H16 | 1.1° | 0.0° |
