OEZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | CAN | sing | 1.54Å | 1.56Å | |
| CAM | CAL | sing | 1.54Å | 1.53Å | |
| CAN | CAO | sing | 1.54Å | 1.44Å | |
| CAL | CAO | sing | 1.54Å | 1.39Å | |
| CAL | NAK | sing | 1.46Å | 1.43Å | |
| NAK | CAJ | sing | 1.35Å | 1.38Å | |
| OAP | CAJ | doub | 1.22Å | 1.24Å | |
| CAJ | CAI | sing | 1.48Å | 1.46Å | |
| CAI | CAH | doub | 1.40Å | 1.41Å | Aromatic |
| CAI | CAQ | sing | 1.40Å | 1.42Å | Aromatic |
| CAH | CAG | sing | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAR | doub | 1.38Å | 1.37Å | Aromatic |
| CAC | CAB | sing | 1.51Å | 1.56Å | |
| CAG | CAF | sing | 1.48Å | 1.47Å | |
| CAG | CAS | doub | 1.40Å | 1.44Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.42Å | Aromatic |
| CAE | CAD | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | CAV | doub | 1.41Å | 1.40Å | Aromatic |
| CAD | CAB | sing | 1.40Å | 1.42Å | |
| CAD | NBA | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | OAA | doub | 1.22Å | 1.28Å | |
| CAR | CAS | sing | 1.39Å | 1.38Å | Aromatic |
| CAV | NBA | sing | 1.37Å | 1.40Å | Aromatic |
| CAV | NAW | sing | 1.34Å | 1.38Å | Aromatic |
| NBA | CAZ | sing | 1.36Å | 1.39Å | Aromatic |
| NAW | CAX | doub | 1.31Å | 1.36Å | Aromatic |
| CAS | OAT | sing | 1.36Å | 1.37Å | |
| CAZ | CAY | doub | 1.36Å | 1.39Å | Aromatic |
| CAX | CAY | sing | 1.40Å | 1.42Å | Aromatic |
| OAT | CAU | sing | 1.43Å | 1.43Å | |
| CAM | H1 | sing | 1.09Å | 1.10Å | |
| CAM | H2 | sing | 1.09Å | 1.10Å | |
| CAN | H3 | sing | 1.09Å | 1.10Å | |
| CAN | H4 | sing | 1.09Å | 1.10Å | |
| CAO | H5 | sing | 1.09Å | 1.10Å | |
| CAO | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| NAK | H8 | sing | 0.97Å | 1.00Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| CAQ | H10 | sing | 1.08Å | 1.08Å | |
| CAR | H11 | sing | 1.08Å | 1.08Å | |
| CAU | H12 | sing | 1.09Å | 1.10Å | |
| CAU | H13 | sing | 1.09Å | 1.10Å | |
| CAU | H14 | sing | 1.09Å | 1.10Å | |
| CAE | H15 | sing | 1.08Å | 1.08Å | |
| CAX | H16 | sing | 1.08Å | 1.08Å | |
| CAY | H17 | sing | 1.08Å | 1.08Å | |
| CAZ | H18 | sing | 1.08Å | 1.08Å | |
| CAC | H19 | sing | 1.09Å | 1.10Å | |
| CAC | H20 | sing | 1.09Å | 1.10Å | |
| CAC | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | CAM | CAL | 81.8° | 87.1° |
| CAM | CAN | CAO | 91.4° | 87.1° |
| CAN | CAM | H1 | 115.9° | 113.6° |
| CAN | CAM | H2 | 115.9° | 113.6° |
| CAM | CAN | H3 | 113.8° | 113.6° |
| CAM | CAN | H4 | 113.8° | 113.6° |
| CAM | CAL | CAO | 94.8° | 87.1° |
| CAM | CAL | NAK | 119.4° | 113.6° |
| CAL | CAM | H1 | 115.9° | 113.6° |
| CAL | CAM | H2 | 115.9° | 113.6° |
| CAM | CAL | H7 | 108.5° | 113.6° |
| CAN | CAO | CAL | 91.4° | 87.1° |
| CAO | CAN | H3 | 113.8° | 113.6° |
| CAO | CAN | H4 | 113.8° | 113.6° |
| CAN | CAO | H5 | 113.8° | 113.6° |
| CAN | CAO | H6 | 113.8° | 113.6° |
| CAO | CAL | NAK | 112.9° | 113.6° |
| CAL | CAO | H5 | 113.8° | 113.6° |
| CAL | CAO | H6 | 113.8° | 113.7° |
| CAO | CAL | H7 | 110.5° | 113.6° |
| CAL | NAK | CAJ | 124.6° | 120.0° |
| NAK | CAL | H7 | 109.8° | 112.9° |
| CAL | NAK | H8 | 117.7° | 120.0° |
| NAK | CAJ | OAP | 118.5° | 120.0° |
| NAK | CAJ | CAI | 119.3° | 120.0° |
| CAJ | NAK | H8 | 117.7° | 120.0° |
| OAP | CAJ | CAI | 122.2° | 120.0° |
| CAJ | CAI | CAH | 121.9° | 120.0° |
| CAJ | CAI | CAQ | 118.8° | 120.1° |
| CAH | CAI | CAQ | 119.3° | 119.9° |
| CAI | CAH | CAG | 119.9° | 119.8° |
| CAI | CAH | H9 | 120.0° | 120.1° |
| CAI | CAQ | CAR | 120.3° | 120.1° |
| CAI | CAQ | H10 | 119.9° | 119.9° |
| CAH | CAG | CAF | 119.2° | 120.1° |
| CAH | CAG | CAS | 119.4° | 119.8° |
| CAG | CAH | H9 | 120.0° | 120.1° |
| CAQ | CAR | CAS | 121.6° | 120.3° |
| CAR | CAQ | H10 | 119.8° | 119.9° |
| CAQ | CAR | H11 | 119.2° | 119.9° |
| CAC | CAB | CAD | 117.1° | 120.0° |
| CAC | CAB | OAA | 118.9° | 120.0° |
| CAB | CAC | H19 | 109.5° | 109.5° |
| CAB | CAC | H20 | 109.5° | 109.5° |
| CAB | CAC | H21 | 109.5° | 109.4° |
| CAF | CAG | CAS | 121.3° | 120.1° |
| CAG | CAF | CAE | 125.3° | 126.3° |
| CAG | CAF | CAV | 129.5° | 126.2° |
| CAG | CAS | CAR | 119.3° | 120.1° |
| CAG | CAS | OAT | 116.3° | 119.9° |
| CAF | CAE | CAD | 110.8° | 107.6° |
| CAE | CAF | CAV | 105.2° | 107.5° |
| CAF | CAE | H15 | 124.6° | 126.2° |
| CAE | CAD | CAB | 127.6° | 125.8° |
| CAE | CAD | NBA | 105.6° | 108.3° |
| CAD | CAE | H15 | 124.6° | 126.2° |
| CAF | CAV | NBA | 109.0° | 108.0° |
| CAF | CAV | NAW | 128.9° | 131.5° |
| CAB | CAD | NBA | 126.7° | 125.9° |
| CAD | CAB | OAA | 124.0° | 120.0° |
| CAD | NBA | CAV | 109.4° | 108.7° |
| CAD | NBA | CAZ | 130.5° | 131.6° |
| CAR | CAS | OAT | 124.4° | 120.0° |
| CAS | CAR | H11 | 119.2° | 119.9° |
| NBA | CAV | NAW | 122.1° | 120.6° |
| CAV | NBA | CAZ | 120.0° | 119.8° |
| CAV | NAW | CAX | 117.1° | 121.0° |
| NBA | CAZ | CAY | 118.8° | 119.2° |
| NBA | CAZ | H18 | 120.6° | 120.4° |
| NAW | CAX | CAY | 123.2° | 120.2° |
| NAW | CAX | H16 | 118.4° | 119.9° |
| CAS | OAT | CAU | 117.5° | 117.0° |
| CAZ | CAY | CAX | 118.8° | 119.3° |
| CAZ | CAY | H17 | 120.6° | 120.4° |
| CAY | CAZ | H18 | 120.6° | 120.4° |
| CAY | CAX | H16 | 118.4° | 119.9° |
| CAX | CAY | H17 | 120.6° | 120.4° |
| OAT | CAU | H12 | 109.5° | 109.5° |
| OAT | CAU | H13 | 109.5° | 109.5° |
| OAT | CAU | H14 | 109.5° | 109.5° |
| H1 | CAM | H2 | 109.5° | 112.9° |
| H3 | CAN | H4 | 109.5° | 112.9° |
| H5 | CAO | H6 | 109.5° | 112.8° |
| H12 | CAU | H13 | 109.5° | 109.5° |
| H12 | CAU | H14 | 109.5° | 109.5° |
| H13 | CAU | H14 | 109.5° | 109.4° |
| H19 | CAC | H20 | 109.5° | 109.5° |
| H19 | CAC | H21 | 109.5° | 109.5° |
| H20 | CAC | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | CAM | CAL | H1 | 114.8° | 114.5° |
| CAN | CAM | CAL | H2 | 114.8° | 114.5° |
| CAM | CAN | CAO | H3 | 116.8° | 114.5° |
| CAM | CAN | CAO | H4 | 116.8° | 114.6° |
| CAN | CAM | CAL | CAO | 6.3° | 25.4° |
| CAN | CAM | CAL | NAK | 126.0° | 89.1° |
| CAN | CAM | H1 | H2 | 133.3° | 131.2° |
| CAM | CAN | H3 | H4 | 128.6° | 131.3° |
| CAM | CAN | CAO | H5 | 123.5° | 89.1° |
| CAM | CAN | CAO | H6 | 110.2° | 140.1° |
| CAN | CAM | CAL | H7 | 107.1° | 140.0° |
| CAM | CAL | CAO | NAK | 124.8° | 114.6° |
| CAM | CAL | CAO | H7 | 111.8° | 114.6° |
| CAM | CAL | NAK | H7 | 126.2° | 131.3° |
| CAM | CAL | NAK | CAJ | 135.0° | 154.9° |
| CAL | CAM | H1 | H2 | 133.3° | 131.3° |
| CAL | CAM | CAN | H3 | 110.7° | 140.0° |
| CAL | CAM | CAN | H4 | 122.9° | 89.1° |
| CAM | CAL | CAO | H5 | 123.6° | 89.1° |
| CAM | CAL | CAO | H6 | 110.0° | 140.0° |
| CAM | CAL | NAK | H8 | 45.0° | 24.9° |
| CAN | CAO | CAL | H5 | 116.8° | 114.6° |
| CAN | CAO | CAL | H6 | 116.9° | 114.6° |
| CAN | CAO | CAL | NAK | 131.6° | 89.1° |
| CAO | CAN | CAM | H1 | 108.7° | 140.0° |
| CAO | CAN | CAM | H2 | 120.9° | 89.1° |
| CAO | CAN | H3 | H4 | 128.6° | 131.3° |
| CAN | CAO | H5 | H6 | 128.6° | 131.2° |
| CAN | CAO | CAL | H7 | 105.0° | 140.0° |
| CAO | CAL | NAK | H7 | 123.8° | 131.2° |
| CAO | CAL | NAK | CAJ | 115.0° | 107.5° |
| CAO | CAL | CAM | H1 | 108.5° | 140.0° |
| CAO | CAL | CAM | H2 | 121.2° | 89.1° |
| CAL | CAO | CAN | H3 | 110.2° | 139.9° |
| CAL | CAO | CAN | H4 | 123.5° | 89.2° |
| CAL | CAO | H5 | H6 | 128.6° | 131.3° |
| CAO | CAL | NAK | H8 | 65.0° | 72.6° |
| CAL | NAK | CAJ | H8 | 180.0° | 179.9° |
| CAL | NAK | CAJ | OAP | 2.0° | 0.1° |
| CAL | NAK | CAJ | CAI | 179.5° | 180.0° |
| NAK | CAL | CAM | H1 | 11.2° | 25.4° |
| NAK | CAL | CAM | H2 | 119.2° | 156.4° |
| NAK | CAL | CAO | H5 | 111.6° | 156.3° |
| NAK | CAL | CAO | H6 | 14.7° | 25.4° |
| NAK | CAJ | OAP | CAI | 177.4° | 179.9° |
| NAK | CAJ | CAI | CAH | 0.9° | 180.0° |
| NAK | CAJ | CAI | CAQ | 178.1° | 0.2° |
| CAJ | NAK | CAL | H7 | 8.8° | 23.6° |
| OAP | CAJ | CAI | CAH | 178.3° | 0.0° |
| OAP | CAJ | CAI | CAQ | 0.7° | 179.8° |
| OAP | CAJ | NAK | H8 | 178.0° | 180.0° |
| CAJ | CAI | CAH | CAQ | 178.9° | 179.8° |
| CAJ | CAI | CAH | CAG | 178.0° | 180.0° |
| CAJ | CAI | CAQ | CAR | 177.3° | 180.0° |
| CAI | CAJ | NAK | H8 | 0.5° | 0.1° |
| CAJ | CAI | CAH | H9 | 2.0° | 0.1° |
| CAJ | CAI | CAQ | H10 | 2.7° | 0.1° |
| CAI | CAH | CAG | H9 | 180.0° | 179.9° |
| CAH | CAI | CAQ | CAR | 1.7° | 0.2° |
| CAI | CAH | CAG | CAF | 175.7° | 180.0° |
| CAI | CAH | CAG | CAS | 2.0° | 0.0° |
| CAH | CAI | CAQ | H10 | 178.3° | 179.7° |
| CAQ | CAI | CAH | CAG | 1.0° | 0.2° |
| CAI | CAQ | CAR | H10 | 180.0° | 179.9° |
| CAI | CAQ | CAR | CAS | 3.6° | 0.1° |
| CAQ | CAI | CAH | H9 | 179.0° | 179.8° |
| CAI | CAQ | CAR | H11 | 176.4° | 180.0° |
| CAH | CAG | CAF | CAS | 177.6° | 179.9° |
| CAH | CAG | CAF | CAE | 130.4° | 65.3° |
| CAH | CAG | CAF | CAV | 48.5° | 115.0° |
| CAH | CAG | CAS | CAR | 3.8° | 0.2° |
| CAH | CAG | CAS | OAT | 177.0° | 180.0° |
| CAQ | CAR | CAS | CAG | 4.6° | 0.3° |
| CAQ | CAR | CAS | H11 | 180.0° | 179.9° |
| CAQ | CAR | CAS | OAT | 176.2° | 180.0° |
| CAC | CAB | CAD | CAE | 6.8° | 0.1° |
| CAC | CAB | CAD | OAA | 178.8° | 180.0° |
| CAC | CAB | CAD | NBA | 176.2° | 179.8° |
| CAB | CAC | H19 | H20 | 120.0° | 120.1° |
| CAB | CAC | H19 | H21 | 120.0° | 119.9° |
| CAB | CAC | H20 | H21 | 120.0° | 120.0° |
| CAG | CAF | CAE | CAV | 179.1° | 179.8° |
| CAG | CAF | CAE | CAD | 179.8° | 180.0° |
| CAF | CAG | CAS | CAR | 173.8° | 179.7° |
| CAG | CAF | CAV | NBA | 179.7° | 180.0° |
| CAG | CAF | CAV | NAW | 0.5° | 0.0° |
| CAF | CAG | CAS | OAT | 5.4° | 0.0° |
| CAF | CAG | CAH | H9 | 4.4° | 0.1° |
| CAG | CAF | CAE | H15 | 0.2° | 0.1° |
| CAS | CAG | CAF | CAE | 47.2° | 114.7° |
| CAS | CAG | CAF | CAV | 133.9° | 65.1° |
| CAG | CAS | CAR | OAT | 179.2° | 179.7° |
| CAG | CAS | OAT | CAU | 173.9° | 179.8° |
| CAS | CAG | CAH | H9 | 178.0° | 179.9° |
| CAG | CAS | CAR | H11 | 175.4° | 179.8° |
| CAF | CAE | CAD | H15 | 180.0° | 180.0° |
| CAF | CAE | CAD | CAB | 177.0° | 180.0° |
| CAF | CAE | CAD | NBA | 0.5° | 0.1° |
| CAE | CAF | CAV | NBA | 0.7° | 0.2° |
| CAE | CAF | CAV | NAW | 178.5° | 179.7° |
| CAD | CAE | CAF | CAV | 0.7° | 0.2° |
| CAE | CAD | CAB | NBA | 177.0° | 179.9° |
| CAE | CAD | CAB | OAA | 174.4° | 180.0° |
| CAE | CAD | NBA | CAV | 0.1° | 0.0° |
| CAE | CAD | NBA | CAZ | 177.1° | 179.8° |
| CAF | CAV | NBA | CAD | 0.4° | 0.1° |
| CAF | CAV | NBA | NAW | 179.2° | 179.9° |
| CAF | CAV | NBA | CAZ | 177.9° | 180.0° |
| CAF | CAV | NAW | CAX | 179.1° | 180.0° |
| CAV | CAF | CAE | H15 | 179.3° | 179.8° |
| CAB | CAD | NBA | CAV | 177.5° | 179.9° |
| CAB | CAD | NBA | CAZ | 5.4° | 0.1° |
| CAB | CAD | CAE | H15 | 3.0° | 0.0° |
| CAD | CAB | CAC | H19 | 178.9° | 89.9° |
| CAD | CAB | CAC | H20 | 58.9° | 150.0° |
| CAD | CAB | CAC | H21 | 61.1° | 30.0° |
| NBA | CAD | CAB | OAA | 2.6° | 0.1° |
| CAD | NBA | CAV | CAZ | 177.5° | 179.8° |
| CAD | NBA | CAV | NAW | 178.8° | 179.8° |
| CAD | NBA | CAZ | CAY | 178.8° | 179.8° |
| NBA | CAD | CAE | H15 | 179.5° | 179.9° |
| CAD | NBA | CAZ | H18 | 1.1° | 0.2° |
| OAA | CAB | CAC | H19 | 0.0° | 90.0° |
| OAA | CAB | CAC | H20 | 120.0° | 30.0° |
| OAA | CAB | CAC | H21 | 120.0° | 150.0° |
| CAR | CAS | OAT | CAU | 5.3° | 0.0° |
| CAS | CAR | CAQ | H10 | 176.4° | 180.0° |
| NBA | CAV | NAW | CAX | 0.0° | 0.0° |
| CAV | NBA | CAZ | CAY | 2.0° | 0.0° |
| CAV | NBA | CAZ | H18 | 178.0° | 180.0° |
| NAW | CAV | NBA | CAZ | 1.4° | 0.0° |
| CAV | NAW | CAX | CAY | 0.7° | 0.0° |
| CAV | NAW | CAX | H16 | 179.3° | 179.9° |
| NBA | CAZ | CAY | H18 | 180.0° | 180.0° |
| NBA | CAZ | CAY | CAX | 1.3° | 0.0° |
| NBA | CAZ | CAY | H17 | 178.7° | 180.0° |
| NAW | CAX | CAY | CAZ | 0.1° | 0.0° |
| NAW | CAX | CAY | H16 | 180.0° | 180.0° |
| NAW | CAX | CAY | H17 | 179.9° | 180.0° |
| OAT | CAS | CAR | H11 | 3.8° | 0.1° |
| CAS | OAT | CAU | H12 | 180.0° | 60.0° |
| CAS | OAT | CAU | H13 | 60.0° | 180.0° |
| CAS | OAT | CAU | H14 | 60.0° | 60.0° |
| CAZ | CAY | CAX | H17 | 180.0° | 180.0° |
| CAZ | CAY | CAX | H16 | 179.9° | 179.9° |
| CAX | CAY | CAZ | H18 | 178.7° | 180.0° |
| OAT | CAU | H12 | H13 | 120.0° | 120.0° |
| OAT | CAU | H12 | H14 | 120.0° | 120.0° |
| OAT | CAU | H13 | H14 | 120.0° | 120.0° |
| H1 | CAM | CAN | H3 | 134.4° | 105.5° |
| H1 | CAM | CAN | H4 | 8.1° | 25.4° |
| H1 | CAM | CAL | H7 | 138.0° | 105.5° |
| H2 | CAM | CAN | H3 | 4.1° | 25.4° |
| H2 | CAM | CAN | H4 | 122.2° | 156.3° |
| H2 | CAM | CAL | H7 | 7.7° | 25.4° |
| H3 | CAN | CAO | H5 | 6.6° | 25.4° |
| H3 | CAN | CAO | H6 | 133.0° | 105.4° |
| H4 | CAN | CAO | H5 | 119.7° | 156.3° |
| H4 | CAN | CAO | H6 | 6.6° | 25.5° |
| H5 | CAO | CAL | H7 | 11.9° | 25.4° |
| H6 | CAO | CAL | H7 | 138.2° | 105.4° |
| H7 | CAL | NAK | H8 | 171.2° | 156.2° |
| H10 | CAQ | CAR | H11 | 3.6° | 0.1° |
| H12 | CAU | H13 | H14 | 120.0° | 120.0° |
| H16 | CAX | CAY | H17 | 0.1° | 0.0° |
| H17 | CAY | CAZ | H18 | 1.3° | 0.1° |
| H19 | CAC | H20 | H21 | 120.0° | 120.0° |
