4ZO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAO | CAI | doub | 1.22Å | 1.20Å | |
| CAG | NAH | sing | 1.47Å | 1.50Å | |
| CAG | CAF | sing | 1.51Å | 1.52Å | |
| CAI | NAH | sing | 1.35Å | 1.38Å | |
| CAI | NAJ | sing | 1.35Å | 1.40Å | |
| CAA | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.38Å | 1.41Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | NAJ | sing | 1.46Å | 1.48Å | |
| CAK | CAL | sing | 1.51Å | 1.51Å | |
| CAB | CAC | doub | 1.39Å | 1.43Å | Aromatic |
| OAM | CAL | sing | 1.34Å | 1.46Å | |
| OAM | CAN | sing | 1.45Å | 1.43Å | |
| CAL | OAQ | doub | 1.21Å | 1.27Å | |
| CAP | CAN | sing | 1.53Å | 1.48Å | |
| CAE | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.43Å | Aromatic |
| CAC | N2 | sing | 1.40Å | 1.40Å | |
| C5 | C3 | sing | 1.51Å | 1.52Å | |
| N2 | C3 | sing | 1.35Å | 1.37Å | |
| C3 | O4 | doub | 1.21Å | 1.25Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.08Å | 1.08Å | |
| CAB | H5 | sing | 1.08Å | 1.08Å | |
| CAD | H6 | sing | 1.08Å | 1.08Å | |
| CAE | H7 | sing | 1.08Å | 1.08Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å | |
| CAG | H9 | sing | 1.09Å | 1.10Å | |
| NAH | H10 | sing | 0.97Å | 1.00Å | |
| NAJ | H11 | sing | 0.97Å | 1.00Å | |
| CAK | H12 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| CAN | H14 | sing | 1.09Å | 1.10Å | |
| CAN | H15 | sing | 1.09Å | 1.10Å | |
| CAP | H16 | sing | 1.09Å | 1.10Å | |
| CAP | H17 | sing | 1.09Å | 1.10Å | |
| CAP | H18 | sing | 1.09Å | 1.10Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAO | CAI | NAH | 123.6° | 120.1° |
| OAO | CAI | NAJ | 121.8° | 119.9° |
| NAH | CAG | CAF | 103.9° | 109.5° |
| CAG | NAH | CAI | 115.8° | 120.0° |
| NAH | CAG | H8 | 110.8° | 109.4° |
| NAH | CAG | H9 | 110.8° | 109.5° |
| CAG | NAH | H10 | 122.1° | 120.0° |
| CAG | CAF | CAA | 119.7° | 119.9° |
| CAG | CAF | CAE | 120.2° | 119.9° |
| CAF | CAG | H8 | 110.8° | 109.5° |
| CAF | CAG | H9 | 110.8° | 109.5° |
| NAH | CAI | NAJ | 114.5° | 120.0° |
| CAI | NAH | H10 | 122.1° | 120.0° |
| CAI | NAJ | CAK | 119.3° | 120.0° |
| CAI | NAJ | H11 | 120.4° | 120.0° |
| CAF | CAA | CAB | 119.7° | 120.1° |
| CAA | CAF | CAE | 120.1° | 120.1° |
| CAF | CAA | H4 | 120.2° | 119.9° |
| CAA | CAB | CAC | 122.2° | 119.9° |
| CAB | CAA | H4 | 120.1° | 120.0° |
| CAA | CAB | H5 | 118.9° | 120.0° |
| CAF | CAE | CAD | 120.5° | 120.0° |
| CAF | CAE | H7 | 119.8° | 120.0° |
| NAJ | CAK | CAL | 107.6° | 109.5° |
| CAK | NAJ | H11 | 120.4° | 120.0° |
| NAJ | CAK | H12 | 109.9° | 109.5° |
| NAJ | CAK | H13 | 110.0° | 109.4° |
| CAK | CAL | OAM | 111.8° | 120.0° |
| CAK | CAL | OAQ | 118.7° | 120.0° |
| CAL | CAK | H12 | 110.0° | 109.5° |
| CAL | CAK | H13 | 109.9° | 109.5° |
| CAB | CAC | CAD | 116.2° | 119.8° |
| CAB | CAC | N2 | 128.1° | 120.1° |
| CAC | CAB | H5 | 118.9° | 120.0° |
| CAL | OAM | CAN | 118.0° | 117.0° |
| OAM | CAL | OAQ | 129.4° | 120.0° |
| OAM | CAN | CAP | 102.8° | 109.5° |
| OAM | CAN | H14 | 111.1° | 109.5° |
| OAM | CAN | H15 | 111.1° | 109.4° |
| CAP | CAN | H14 | 111.1° | 109.5° |
| CAP | CAN | H15 | 111.1° | 109.5° |
| CAN | CAP | H16 | 109.5° | 109.5° |
| CAN | CAP | H17 | 109.5° | 109.5° |
| CAN | CAP | H18 | 109.5° | 109.5° |
| CAE | CAD | CAC | 121.1° | 120.0° |
| CAE | CAD | H6 | 119.4° | 120.0° |
| CAD | CAE | H7 | 119.7° | 120.0° |
| CAD | CAC | N2 | 115.6° | 120.1° |
| CAC | CAD | H6 | 119.4° | 120.0° |
| CAC | N2 | C3 | 133.5° | 120.0° |
| CAC | N2 | H19 | 113.3° | 120.0° |
| C5 | C3 | N2 | 125.2° | 120.0° |
| C5 | C3 | O4 | 116.3° | 120.0° |
| C3 | C5 | H1 | 109.5° | 109.5° |
| C3 | C5 | H2 | 109.5° | 109.5° |
| C3 | C5 | H3 | 109.5° | 109.4° |
| N2 | C3 | O4 | 118.5° | 120.0° |
| C3 | N2 | H19 | 113.3° | 120.0° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H1 | C5 | H3 | 109.5° | 109.5° |
| H2 | C5 | H3 | 109.5° | 109.4° |
| H8 | CAG | H9 | 109.5° | 109.5° |
| H12 | CAK | H13 | 109.5° | 109.4° |
| H14 | CAN | H15 | 109.4° | 109.4° |
| H16 | CAP | H17 | 109.5° | 109.5° |
| H16 | CAP | H18 | 109.5° | 109.5° |
| H17 | CAP | H18 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAO | CAI | NAH | CAG | 5.9° | 0.1° |
| OAO | CAI | NAH | NAJ | 176.8° | 180.0° |
| OAO | CAI | NAJ | CAK | 11.9° | 0.0° |
| OAO | CAI | NAH | H10 | 174.0° | 179.9° |
| OAO | CAI | NAJ | H11 | 168.1° | 180.0° |
| NAH | CAG | CAF | H8 | 119.1° | 119.9° |
| NAH | CAG | CAF | H9 | 119.1° | 120.0° |
| CAG | NAH | CAI | H10 | 180.0° | 180.0° |
| CAG | NAH | CAI | NAJ | 177.3° | 180.0° |
| NAH | CAG | CAF | CAA | 101.9° | 90.0° |
| NAH | CAG | CAF | CAE | 76.4° | 90.0° |
| NAH | CAG | H8 | H9 | 122.6° | 120.0° |
| CAF | CAG | NAH | CAI | 148.6° | 180.0° |
| CAG | CAF | CAA | CAE | 178.3° | 180.0° |
| CAG | CAF | CAA | CAB | 178.4° | 179.9° |
| CAG | CAF | CAE | CAD | 179.8° | 179.9° |
| CAG | CAF | CAA | H4 | 1.7° | 0.3° |
| CAG | CAF | CAE | H7 | 0.2° | 0.0° |
| CAF | CAG | H8 | H9 | 122.6° | 120.0° |
| CAF | CAG | NAH | H10 | 31.4° | 0.0° |
| NAH | CAI | NAJ | CAK | 171.2° | 180.0° |
| CAI | NAH | CAG | H8 | 92.3° | 60.0° |
| CAI | NAH | CAG | H9 | 29.5° | 60.0° |
| NAH | CAI | NAJ | H11 | 8.8° | 0.0° |
| CAI | NAJ | CAK | H11 | 180.0° | 180.0° |
| CAI | NAJ | CAK | CAL | 74.9° | 180.0° |
| NAJ | CAI | NAH | H10 | 2.7° | 0.0° |
| CAI | NAJ | CAK | H12 | 44.9° | 59.9° |
| CAI | NAJ | CAK | H13 | 165.4° | 60.0° |
| CAF | CAA | CAB | H4 | 180.0° | 179.7° |
| CAF | CAA | CAB | CAC | 0.9° | 0.0° |
| CAA | CAF | CAE | CAD | 1.5° | 0.1° |
| CAF | CAA | CAB | H5 | 179.1° | 180.0° |
| CAA | CAF | CAE | H7 | 178.5° | 180.0° |
| CAA | CAF | CAG | H8 | 17.2° | 150.1° |
| CAA | CAF | CAG | H9 | 139.0° | 30.0° |
| CAB | CAA | CAF | CAE | 0.0° | 0.1° |
| CAA | CAB | CAC | H5 | 180.0° | 179.9° |
| CAA | CAB | CAC | CAD | 3.1° | 0.0° |
| CAA | CAB | CAC | N2 | 179.2° | 179.9° |
| CAF | CAE | CAD | H7 | 180.0° | 179.9° |
| CAF | CAE | CAD | CAC | 3.8° | 0.0° |
| CAE | CAF | CAA | H4 | 180.0° | 179.7° |
| CAF | CAE | CAD | H6 | 176.2° | 180.0° |
| CAE | CAF | CAG | H8 | 164.5° | 29.9° |
| CAE | CAF | CAG | H9 | 42.7° | 150.0° |
| NAJ | CAK | CAL | H12 | 119.7° | 120.1° |
| NAJ | CAK | CAL | H13 | 119.7° | 120.0° |
| NAJ | CAK | CAL | OAM | 170.4° | 180.0° |
| NAJ | CAK | CAL | OAQ | 12.1° | 0.0° |
| NAJ | CAK | H12 | H13 | 120.9° | 119.9° |
| CAK | CAL | OAM | OAQ | 177.2° | 180.0° |
| CAK | CAL | OAM | CAN | 150.5° | 180.0° |
| CAL | CAK | NAJ | H11 | 105.2° | 0.1° |
| CAL | CAK | H12 | H13 | 120.9° | 120.0° |
| CAB | CAC | CAD | CAE | 4.5° | 0.0° |
| CAB | CAC | CAD | N2 | 178.0° | 180.0° |
| CAB | CAC | N2 | C3 | 5.8° | 35.1° |
| CAC | CAB | CAA | H4 | 179.1° | 179.7° |
| CAB | CAC | CAD | H6 | 175.5° | 180.0° |
| CAB | CAC | N2 | H19 | 174.2° | 144.9° |
| CAL | OAM | CAN | CAP | 174.5° | 180.0° |
| OAM | CAL | CAK | H12 | 50.7° | 59.9° |
| OAM | CAL | CAK | H13 | 69.9° | 60.0° |
| CAL | OAM | CAN | H14 | 55.6° | 59.9° |
| CAL | OAM | CAN | H15 | 66.6° | 60.0° |
| CAN | OAM | CAL | OAQ | 32.3° | 0.0° |
| OAM | CAN | CAP | H14 | 119.0° | 120.1° |
| OAM | CAN | CAP | H15 | 118.9° | 120.0° |
| OAM | CAN | H14 | H15 | 123.1° | 119.9° |
| OAM | CAN | CAP | H16 | 180.0° | 60.0° |
| OAM | CAN | CAP | H17 | 60.0° | 60.1° |
| OAM | CAN | CAP | H18 | 60.0° | 180.0° |
| OAQ | CAL | CAK | H12 | 131.8° | 120.1° |
| OAQ | CAL | CAK | H13 | 107.6° | 120.0° |
| CAP | CAN | H14 | H15 | 123.1° | 120.0° |
| CAN | CAP | H16 | H17 | 120.0° | 120.0° |
| CAN | CAP | H16 | H18 | 120.0° | 120.0° |
| CAN | CAP | H17 | H18 | 120.0° | 120.0° |
| CAE | CAD | CAC | H6 | 180.0° | 180.0° |
| CAE | CAD | CAC | N2 | 177.5° | 180.0° |
| CAD | CAC | N2 | C3 | 176.5° | 144.9° |
| CAD | CAC | CAB | H5 | 176.9° | 179.9° |
| CAC | CAD | CAE | H7 | 176.2° | 180.0° |
| CAD | CAC | N2 | H19 | 3.5° | 35.0° |
| CAC | N2 | C3 | C5 | 5.4° | 175.1° |
| CAC | N2 | C3 | H19 | 180.0° | 180.0° |
| CAC | N2 | C3 | O4 | 175.6° | 4.6° |
| N2 | CAC | CAB | H5 | 0.8° | 0.0° |
| N2 | CAC | CAD | H6 | 2.5° | 0.0° |
| C5 | C3 | N2 | O4 | 179.0° | 179.8° |
| C3 | C5 | H1 | H2 | 120.0° | 120.1° |
| C3 | C5 | H1 | H3 | 120.0° | 120.0° |
| C3 | C5 | H2 | H3 | 120.0° | 120.0° |
| C5 | C3 | N2 | H19 | 174.6° | 4.9° |
| N2 | C3 | C5 | H1 | 179.0° | 89.8° |
| N2 | C3 | C5 | H2 | 59.0° | 30.3° |
| N2 | C3 | C5 | H3 | 61.0° | 150.3° |
| O4 | C3 | C5 | H1 | 0.0° | 90.0° |
| O4 | C3 | C5 | H2 | 120.0° | 149.9° |
| O4 | C3 | C5 | H3 | 120.0° | 30.0° |
| O4 | C3 | N2 | H19 | 4.4° | 175.4° |
| H1 | C5 | H2 | H3 | 120.0° | 120.0° |
| H4 | CAA | CAB | H5 | 0.9° | 0.4° |
| H6 | CAD | CAE | H7 | 3.8° | 0.1° |
| H8 | CAG | NAH | H10 | 87.6° | 120.0° |
| H9 | CAG | NAH | H10 | 150.5° | 120.0° |
| H11 | NAJ | CAK | H12 | 135.1° | 120.0° |
| H11 | NAJ | CAK | H13 | 14.5° | 120.0° |
| H14 | CAN | CAP | H16 | 61.0° | 180.0° |
| H14 | CAN | CAP | H17 | 178.9° | 60.0° |
| H14 | CAN | CAP | H18 | 59.0° | 60.0° |
| H15 | CAN | CAP | H16 | 61.1° | 60.0° |
| H15 | CAN | CAP | H17 | 58.9° | 179.9° |
| H15 | CAN | CAP | H18 | 178.9° | 60.0° |
| H16 | CAP | H17 | H18 | 120.0° | 120.0° |
