1WZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAG | CAT | sing | 1.36Å | 1.36Å | |
| CAB | CAQ | sing | 1.51Å | 1.46Å | |
| CAT | CAQ | doub | 1.39Å | 1.40Å | Aromatic |
| CAT | CAP | sing | 1.39Å | 1.41Å | Aromatic |
| CAA | CAP | sing | 1.51Å | 1.44Å | |
| CAQ | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAR | doub | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAR | sing | 1.40Å | 1.39Å | Aromatic |
| CAR | CAH | sing | 1.47Å | 1.42Å | |
| CAH | CAI | doub | 1.34Å | 1.52Å | |
| CAI | CAS | sing | 1.47Å | 1.40Å | |
| CAS | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAS | CAM | sing | 1.40Å | 1.39Å | Aromatic |
| CAL | CAU | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | CAV | doub | 1.39Å | 1.40Å | Aromatic |
| OAE | CAO | doub | 1.22Å | 1.26Å | |
| CAU | CAO | sing | 1.48Å | 1.40Å | |
| CAU | CAN | doub | 1.40Å | 1.39Å | Aromatic |
| CAV | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAV | NAW | sing | 1.40Å | 1.33Å | |
| CAD | NAW | sing | 1.47Å | 1.47Å | |
| CAO | OAF | sing | 1.35Å | 1.26Å | |
| NAW | CAC | sing | 1.47Å | 1.46Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| OAG | H5 | sing | 0.97Å | 0.95Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CAK | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAI | H11 | sing | 1.08Å | 1.08Å | |
| CAM | H12 | sing | 1.08Å | 1.08Å | |
| CAL | H13 | sing | 1.08Å | 1.08Å | |
| OAF | H14 | sing | 0.97Å | 0.95Å | |
| CAN | H15 | sing | 1.08Å | 1.08Å | |
| CAD | H16 | sing | 1.09Å | 1.10Å | |
| CAD | H17 | sing | 1.09Å | 1.10Å | |
| CAD | H18 | sing | 1.09Å | 1.10Å | |
| 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) |
| OAG | CAT | CAQ | 118.1° | 119.9° |
| OAG | CAT | CAP | 119.2° | 119.9° |
| CAT | OAG | H5 | 109.5° | 114.0° |
| CAB | CAQ | CAT | 123.7° | 120.0° |
| CAB | CAQ | CAK | 120.3° | 119.9° |
| CAQ | CAB | H6 | 109.5° | 109.5° |
| CAQ | CAB | H7 | 109.5° | 109.5° |
| CAQ | CAB | H8 | 109.5° | 109.5° |
| CAQ | CAT | CAP | 122.8° | 120.2° |
| CAT | CAQ | CAK | 116.0° | 120.1° |
| CAT | CAP | CAA | 122.3° | 120.0° |
| CAT | CAP | CAJ | 118.3° | 120.0° |
| CAA | CAP | CAJ | 119.4° | 120.0° |
| CAP | CAA | H1 | 109.5° | 109.5° |
| CAP | CAA | H2 | 109.5° | 109.5° |
| CAP | CAA | H3 | 109.5° | 109.5° |
| CAQ | CAK | CAR | 124.1° | 119.9° |
| CAQ | CAK | H9 | 118.0° | 120.1° |
| CAP | CAJ | CAR | 121.6° | 119.9° |
| CAP | CAJ | H4 | 119.2° | 120.0° |
| CAK | CAR | CAJ | 117.2° | 119.8° |
| CAK | CAR | CAH | 119.0° | 120.1° |
| CAR | CAK | H9 | 118.0° | 120.0° |
| CAJ | CAR | CAH | 123.7° | 120.1° |
| CAR | CAJ | H4 | 119.2° | 120.1° |
| CAR | CAH | CAI | 124.1° | 120.0° |
| CAR | CAH | H10 | 117.9° | 120.0° |
| CAH | CAI | CAS | 121.7° | 120.0° |
| CAI | CAH | H10 | 118.0° | 120.0° |
| CAH | CAI | H11 | 119.1° | 120.0° |
| CAI | CAS | CAL | 122.7° | 120.0° |
| CAI | CAS | CAM | 118.3° | 120.1° |
| CAS | CAI | H11 | 119.1° | 120.0° |
| CAL | CAS | CAM | 119.0° | 119.9° |
| CAS | CAL | CAU | 120.4° | 119.8° |
| CAS | CAL | H13 | 119.8° | 120.1° |
| CAS | CAM | CAV | 121.1° | 120.1° |
| CAS | CAM | H12 | 119.4° | 119.9° |
| CAL | CAU | CAO | 118.3° | 120.0° |
| CAL | CAU | CAN | 119.9° | 120.0° |
| CAU | CAL | H13 | 119.8° | 120.0° |
| CAM | CAV | CAN | 119.2° | 120.2° |
| CAM | CAV | NAW | 118.5° | 119.9° |
| CAV | CAM | H12 | 119.4° | 120.0° |
| OAE | CAO | CAU | 120.4° | 120.0° |
| OAE | CAO | OAF | 118.6° | 120.0° |
| CAO | CAU | CAN | 121.8° | 120.0° |
| CAU | CAO | OAF | 120.8° | 120.0° |
| CAU | CAN | CAV | 120.4° | 120.1° |
| CAU | CAN | H15 | 119.8° | 120.0° |
| CAN | CAV | NAW | 122.3° | 119.9° |
| CAV | CAN | H15 | 119.8° | 120.0° |
| CAV | NAW | CAD | 117.5° | 120.0° |
| CAV | NAW | CAC | 119.3° | 120.0° |
| CAD | NAW | CAC | 123.1° | 120.0° |
| NAW | CAD | H16 | 109.5° | 109.4° |
| NAW | CAD | H17 | 109.5° | 109.5° |
| NAW | CAD | H18 | 109.5° | 109.4° |
| CAO | OAF | H14 | 109.5° | 117.0° |
| NAW | CAC | H19 | 109.5° | 109.5° |
| NAW | CAC | H20 | 109.5° | 109.5° |
| NAW | CAC | H21 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.4° | 109.4° |
| H6 | CAB | H7 | 109.5° | 109.5° |
| H6 | CAB | H8 | 109.4° | 109.4° |
| H7 | CAB | H8 | 109.5° | 109.4° |
| H16 | CAD | H17 | 109.5° | 109.5° |
| H16 | CAD | H18 | 109.5° | 109.5° |
| H17 | CAD | H18 | 109.5° | 109.5° |
| H19 | CAC | H20 | 109.5° | 109.5° |
| H19 | CAC | H21 | 109.4° | 109.5° |
| H20 | CAC | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAG | CAT | CAQ | CAB | 0.6° | 0.1° |
| OAG | CAT | CAQ | CAP | 179.8° | 180.0° |
| OAG | CAT | CAP | CAA | 1.1° | 0.0° |
| OAG | CAT | CAQ | CAK | 179.8° | 180.0° |
| OAG | CAT | CAP | CAJ | 179.9° | 179.8° |
| CAB | CAQ | CAT | CAK | 179.2° | 179.9° |
| CAB | CAQ | CAT | CAP | 179.2° | 179.9° |
| CAB | CAQ | CAK | CAR | 178.9° | 179.8° |
| CAQ | CAB | H6 | H7 | 120.0° | 120.1° |
| CAQ | CAB | H6 | H8 | 120.0° | 120.0° |
| CAQ | CAB | H7 | H8 | 120.0° | 120.0° |
| CAB | CAQ | CAK | H9 | 1.1° | 0.2° |
| CAQ | CAT | CAP | CAA | 179.0° | 180.0° |
| CAQ | CAT | CAP | CAJ | 0.1° | 0.2° |
| CAT | CAQ | CAK | CAR | 0.3° | 0.3° |
| CAQ | CAT | OAG | H5 | 180.0° | 90.0° |
| CAT | CAQ | CAB | H6 | 90.4° | 89.9° |
| CAT | CAQ | CAB | H7 | 149.5° | 150.0° |
| CAT | CAQ | CAB | H8 | 29.5° | 30.1° |
| CAT | CAQ | CAK | H9 | 179.7° | 180.0° |
| CAT | CAP | CAA | CAJ | 178.9° | 179.8° |
| CAP | CAT | CAQ | CAK | 0.0° | 0.0° |
| CAT | CAP | CAJ | CAR | 0.5° | 0.2° |
| CAT | CAP | CAA | H1 | 90.6° | 90.2° |
| CAT | CAP | CAA | H2 | 149.4° | 29.8° |
| CAT | CAP | CAA | H3 | 29.4° | 149.7° |
| CAT | CAP | CAJ | H4 | 179.5° | 179.8° |
| CAP | CAT | OAG | H5 | 0.2° | 90.0° |
| CAA | CAP | CAJ | CAR | 179.5° | 180.0° |
| CAP | CAA | H1 | H2 | 120.0° | 120.0° |
| CAP | CAA | H1 | H3 | 120.0° | 120.1° |
| CAP | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAP | CAJ | H4 | 0.5° | 0.0° |
| CAQ | CAK | CAR | H9 | 180.0° | 179.6° |
| CAQ | CAK | CAR | CAJ | 0.6° | 0.3° |
| CAQ | CAK | CAR | CAH | 179.5° | 179.7° |
| CAK | CAQ | CAB | H6 | 90.4° | 89.9° |
| CAK | CAQ | CAB | H7 | 29.6° | 30.1° |
| CAK | CAQ | CAB | H8 | 149.6° | 150.1° |
| CAP | CAJ | CAR | CAK | 0.7° | 0.0° |
| CAP | CAJ | CAR | H4 | 180.0° | 180.0° |
| CAP | CAJ | CAR | CAH | 179.5° | 180.0° |
| CAJ | CAP | CAA | H1 | 90.5° | 90.0° |
| CAJ | CAP | CAA | H2 | 29.5° | 150.0° |
| CAJ | CAP | CAA | H3 | 149.5° | 30.1° |
| CAK | CAR | CAJ | CAH | 178.8° | 180.0° |
| CAK | CAR | CAH | CAI | 155.9° | 0.0° |
| CAK | CAR | CAJ | H4 | 179.3° | 180.0° |
| CAK | CAR | CAH | H10 | 24.1° | 180.0° |
| CAJ | CAR | CAH | CAI | 25.3° | 180.0° |
| CAJ | CAR | CAK | H9 | 179.3° | 180.0° |
| CAJ | CAR | CAH | H10 | 154.7° | 0.0° |
| CAR | CAH | CAI | H10 | 180.0° | 179.9° |
| CAR | CAH | CAI | CAS | 176.6° | 180.0° |
| CAH | CAR | CAJ | H4 | 0.5° | 0.0° |
| CAH | CAR | CAK | H9 | 0.5° | 0.1° |
| CAR | CAH | CAI | H11 | 3.4° | 0.1° |
| CAH | CAI | CAS | H11 | 180.0° | 179.9° |
| CAH | CAI | CAS | CAL | 14.7° | 0.1° |
| CAH | CAI | CAS | CAM | 162.9° | 179.8° |
| CAI | CAS | CAL | CAM | 177.6° | 179.7° |
| CAI | CAS | CAL | CAU | 178.3° | 179.9° |
| CAI | CAS | CAM | CAV | 177.9° | 180.0° |
| CAS | CAI | CAH | H10 | 3.4° | 0.1° |
| CAI | CAS | CAM | H12 | 2.1° | 0.1° |
| CAI | CAS | CAL | H13 | 1.7° | 0.0° |
| CAS | CAL | CAU | H13 | 180.0° | 179.9° |
| CAL | CAS | CAM | CAV | 0.1° | 0.3° |
| CAS | CAL | CAU | CAO | 179.5° | 180.0° |
| CAS | CAL | CAU | CAN | 0.3° | 0.0° |
| CAL | CAS | CAI | H11 | 165.3° | 180.0° |
| CAL | CAS | CAM | H12 | 179.8° | 179.8° |
| CAM | CAS | CAL | CAU | 0.7° | 0.2° |
| CAS | CAM | CAV | H12 | 180.0° | 180.0° |
| CAS | CAM | CAV | CAN | 0.8° | 0.0° |
| CAS | CAM | CAV | NAW | 179.8° | 180.0° |
| CAM | CAS | CAI | H11 | 17.1° | 0.3° |
| CAM | CAS | CAL | H13 | 179.3° | 179.7° |
| CAL | CAU | CAO | OAE | 26.2° | 180.0° |
| CAL | CAU | CAO | CAN | 179.2° | 179.9° |
| CAL | CAU | CAN | CAV | 0.7° | 0.3° |
| CAL | CAU | CAO | OAF | 148.1° | 0.0° |
| CAL | CAU | CAN | H15 | 179.3° | 180.0° |
| CAM | CAV | CAN | CAU | 1.3° | 0.2° |
| CAM | CAV | CAN | NAW | 178.9° | 180.0° |
| CAM | CAV | NAW | CAD | 10.4° | 179.9° |
| CAM | CAV | NAW | CAC | 165.9° | 0.0° |
| CAM | CAV | CAN | H15 | 178.7° | 179.9° |
| OAE | CAO | CAU | OAF | 174.4° | 180.0° |
| OAE | CAO | CAU | CAN | 154.6° | 0.1° |
| OAE | CAO | OAF | H14 | 0.0° | 0.0° |
| CAO | CAU | CAN | CAV | 178.5° | 179.8° |
| CAO | CAU | CAL | H13 | 0.5° | 0.1° |
| CAU | CAO | OAF | H14 | 174.5° | 179.9° |
| CAO | CAU | CAN | H15 | 1.5° | 0.1° |
| CAU | CAN | CAV | H15 | 180.0° | 179.7° |
| CAU | CAN | CAV | NAW | 179.9° | 179.7° |
| CAN | CAU | CAO | OAF | 31.1° | 180.0° |
| CAN | CAU | CAL | H13 | 179.7° | 180.0° |
| CAN | CAV | NAW | CAD | 170.8° | 0.0° |
| CAN | CAV | NAW | CAC | 13.0° | 180.0° |
| CAN | CAV | CAM | H12 | 179.2° | 180.0° |
| CAV | NAW | CAD | CAC | 176.1° | 180.0° |
| NAW | CAV | CAM | H12 | 0.3° | 0.0° |
| NAW | CAV | CAN | H15 | 0.1° | 0.0° |
| CAV | NAW | CAD | H16 | 180.0° | 90.0° |
| CAV | NAW | CAD | H17 | 60.0° | 150.0° |
| CAV | NAW | CAD | H18 | 60.0° | 30.0° |
| CAV | NAW | CAC | H19 | 180.0° | 60.0° |
| CAV | NAW | CAC | H20 | 60.0° | 180.0° |
| CAV | NAW | CAC | H21 | 60.0° | 60.0° |
| NAW | CAD | H16 | H17 | 120.0° | 120.0° |
| NAW | CAD | H16 | H18 | 120.0° | 119.9° |
| NAW | CAD | H17 | H18 | 120.0° | 120.0° |
| CAD | NAW | CAC | H19 | 4.0° | 120.0° |
| CAD | NAW | CAC | H20 | 124.0° | 0.1° |
| CAD | NAW | CAC | H21 | 116.0° | 120.0° |
| CAC | NAW | CAD | H16 | 3.9° | 90.0° |
| CAC | NAW | CAD | H17 | 116.1° | 30.0° |
| CAC | NAW | CAD | H18 | 123.9° | 150.0° |
| NAW | CAC | H19 | H20 | 120.0° | 120.0° |
| NAW | CAC | H19 | H21 | 120.0° | 120.1° |
| NAW | CAC | H20 | H21 | 120.0° | 120.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H6 | CAB | H7 | H8 | 120.0° | 119.9° |
| H10 | CAH | CAI | H11 | 176.6° | NaN° |
| H16 | CAD | H17 | H18 | 120.0° | 120.1° |
| H19 | CAC | H20 | H21 | 119.9° | 120.0° |
