1OZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.41Å | Aromatic |
| CAE | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAX | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | CAX | sing | 1.39Å | 1.40Å | Aromatic |
| CAX | CAV | sing | 1.48Å | 1.53Å | |
| CAM | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAM | CAZ | sing | 1.40Å | 1.49Å | Aromatic |
| CAG | CAH | sing | 1.38Å | 1.44Å | Aromatic |
| CAV | CAZ | sing | 1.47Å | 1.59Å | |
| CAV | N | doub | 1.29Å | 1.44Å | |
| CAZ | CBA | doub | 1.39Å | 1.38Å | Aromatic |
| CAH | CAN | doub | 1.38Å | 1.43Å | Aromatic |
| N | CA | sing | 1.46Å | 1.45Å | |
| CBA | CAN | sing | 1.40Å | 1.47Å | Aromatic |
| CBA | NBE | sing | 1.39Å | 1.50Å | |
| CA | NAS | sing | 1.47Å | 1.45Å | |
| CA | C | sing | 1.50Å | 1.55Å | |
| NBE | C | sing | 1.33Å | 1.44Å | |
| NBE | CAA | sing | 1.47Å | 1.47Å | |
| NAS | CAU | sing | 1.35Å | 1.40Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| CAU | OAB | doub | 1.22Å | 1.14Å | |
| CAU | CAY | sing | 1.47Å | 1.55Å | |
| CAQ | CAY | doub | 1.36Å | 1.39Å | Aromatic |
| CAQ | CBB | sing | 1.42Å | 1.43Å | Aromatic |
| CAY | NAT | sing | 1.38Å | 1.29Å | Aromatic |
| CBB | CAO | doub | 1.40Å | 1.46Å | Aromatic |
| CBB | CBC | sing | 1.41Å | 1.36Å | Aromatic |
| CAO | CAI | sing | 1.36Å | 1.37Å | Aromatic |
| NAT | CBC | sing | 1.37Å | 1.39Å | Aromatic |
| CBC | CAP | doub | 1.39Å | 1.45Å | Aromatic |
| CAI | CAJ | doub | 1.39Å | 1.43Å | Aromatic |
| CAP | CAJ | sing | 1.38Å | 1.38Å | Aromatic |
| CA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAD | H7 | sing | 1.08Å | 1.08Å | |
| CAE | H8 | sing | 1.08Å | 1.08Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| CAH | H11 | sing | 1.08Å | 1.08Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å | |
| CAJ | H13 | sing | 1.08Å | 1.08Å | |
| CAK | H14 | sing | 1.08Å | 1.08Å | |
| CAL | H15 | sing | 1.08Å | 1.08Å | |
| CAM | H16 | sing | 1.08Å | 1.08Å | |
| CAN | H17 | sing | 1.08Å | 1.08Å | |
| CAO | H18 | sing | 1.08Å | 1.08Å | |
| CAP | H19 | sing | 1.08Å | 1.08Å | |
| CAQ | H20 | sing | 1.08Å | 1.08Å | |
| NAS | H22 | sing | 0.97Å | 1.00Å | |
| NAT | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAD | CAF | 120.1° | 120.3° |
| CAD | CAE | CAK | 119.0° | 120.1° |
| CAE | CAD | H7 | 119.9° | 119.8° |
| CAD | CAE | H8 | 120.5° | 120.0° |
| CAD | CAF | CAL | 121.1° | 120.1° |
| CAF | CAD | H7 | 119.9° | 119.9° |
| CAD | CAF | H9 | 119.5° | 119.9° |
| CAE | CAK | CAX | 120.2° | 119.8° |
| CAK | CAE | H8 | 120.5° | 119.9° |
| CAE | CAK | H14 | 119.9° | 120.0° |
| CAF | CAL | CAX | 118.0° | 119.9° |
| CAL | CAF | H9 | 119.5° | 119.9° |
| CAF | CAL | H15 | 121.0° | 120.1° |
| CAK | CAX | CAL | 121.5° | 119.8° |
| CAK | CAX | CAV | 117.9° | 120.1° |
| CAX | CAK | H14 | 119.9° | 120.1° |
| CAL | CAX | CAV | 120.6° | 120.1° |
| CAX | CAL | H15 | 121.0° | 120.0° |
| CAX | CAV | CAZ | 110.4° | 117.6° |
| CAX | CAV | N | 106.8° | 117.5° |
| CAG | CAM | CAZ | 119.7° | 120.5° |
| CAM | CAG | CAH | 119.9° | 120.0° |
| CAM | CAG | H10 | 120.1° | 119.9° |
| CAG | CAM | H16 | 120.2° | 119.8° |
| CAM | CAZ | CAV | 111.6° | 117.6° |
| CAM | CAZ | CBA | 120.0° | 119.3° |
| CAZ | CAM | H16 | 120.1° | 119.7° |
| CAG | CAH | CAN | 121.2° | 120.2° |
| CAH | CAG | H10 | 120.0° | 120.0° |
| CAG | CAH | H11 | 119.4° | 120.0° |
| CAZ | CAV | N | 119.6° | 124.9° |
| CAV | CAZ | CBA | 128.4° | 123.1° |
| CAV | N | CA | 110.2° | 121.8° |
| CAZ | CBA | CAN | 120.8° | 119.3° |
| CAZ | CBA | NBE | 126.3° | 123.3° |
| CAH | CAN | CBA | 118.3° | 120.7° |
| CAN | CAH | H11 | 119.4° | 119.9° |
| CAH | CAN | H17 | 120.8° | 119.7° |
| N | CA | NAS | 111.6° | 109.6° |
| N | CA | C | 109.1° | 108.9° |
| N | CA | H3 | 109.9° | 109.5° |
| CAN | CBA | NBE | 112.8° | 117.4° |
| CBA | CAN | H17 | 120.8° | 119.7° |
| CBA | NBE | C | 125.5° | 125.2° |
| CBA | NBE | CAA | 118.4° | 117.4° |
| NAS | CA | C | 107.9° | 109.6° |
| CA | NAS | CAU | 117.7° | 120.0° |
| NAS | CA | H3 | 109.7° | 109.6° |
| CA | NAS | H22 | 121.2° | 120.0° |
| CA | C | NBE | 113.8° | 121.7° |
| CA | C | O | 125.9° | 119.2° |
| C | CA | H3 | 108.5° | 109.6° |
| C | NBE | CAA | 116.1° | 117.4° |
| NBE | C | O | 120.3° | 119.1° |
| NBE | CAA | H4 | 109.5° | 109.4° |
| NBE | CAA | H5 | 109.5° | 109.5° |
| NBE | CAA | H6 | 109.5° | 109.5° |
| NAS | CAU | OAB | 122.4° | 120.0° |
| NAS | CAU | CAY | 115.6° | 120.0° |
| CAU | NAS | H22 | 121.2° | 120.1° |
| OAB | CAU | CAY | 121.9° | 120.0° |
| CAU | CAY | CAQ | 125.7° | 125.4° |
| CAU | CAY | NAT | 124.4° | 125.5° |
| CAY | CAQ | CBB | 106.4° | 107.7° |
| CAQ | CAY | NAT | 109.7° | 109.1° |
| CAY | CAQ | H20 | 126.8° | 126.1° |
| CAQ | CBB | CAO | 134.3° | 133.4° |
| CAQ | CBB | CBC | 105.3° | 107.0° |
| CBB | CAQ | H20 | 126.8° | 126.2° |
| CAY | NAT | CBC | 109.4° | 108.8° |
| CAY | NAT | H23 | 125.3° | 125.6° |
| CAO | CBB | CBC | 120.4° | 119.7° |
| CBB | CAO | CAI | 118.9° | 119.8° |
| CBB | CAO | H18 | 120.5° | 120.1° |
| CBB | CBC | NAT | 109.1° | 107.4° |
| CBB | CBC | CAP | 120.9° | 119.4° |
| CAO | CAI | CAJ | 120.2° | 120.7° |
| CAO | CAI | H12 | 119.9° | 119.7° |
| CAI | CAO | H18 | 120.5° | 120.1° |
| NAT | CBC | CAP | 129.9° | 133.2° |
| CBC | NAT | H23 | 125.3° | 125.7° |
| CBC | CAP | CAJ | 118.0° | 119.8° |
| CBC | CAP | H19 | 121.0° | 120.1° |
| CAI | CAJ | CAP | 121.5° | 120.6° |
| CAJ | CAI | H12 | 119.9° | 119.6° |
| CAI | CAJ | H13 | 119.2° | 119.7° |
| CAP | CAJ | H13 | 119.3° | 119.7° |
| CAJ | CAP | H19 | 121.0° | 120.1° |
| H4 | CAA | H5 | 109.5° | 109.5° |
| H4 | CAA | H6 | 109.4° | 109.4° |
| H5 | CAA | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAD | CAF | H7 | 180.0° | 179.6° |
| CAD | CAE | CAK | H8 | 180.0° | 179.9° |
| CAE | CAD | CAF | CAL | 0.1° | 0.1° |
| CAD | CAE | CAK | CAX | 0.1° | 0.0° |
| CAE | CAD | CAF | H9 | 179.8° | 180.0° |
| CAD | CAE | CAK | H14 | 179.9° | 179.9° |
| CAF | CAD | CAE | CAK | 0.1° | 0.1° |
| CAD | CAF | CAL | H9 | 180.0° | 179.9° |
| CAD | CAF | CAL | CAX | 0.0° | 0.1° |
| CAF | CAD | CAE | H8 | 179.8° | 179.9° |
| CAD | CAF | CAL | H15 | 179.9° | 179.9° |
| CAE | CAK | CAX | H14 | 180.0° | 180.0° |
| CAE | CAK | CAX | CAL | 0.0° | 0.0° |
| CAE | CAK | CAX | CAV | 179.1° | 180.0° |
| CAK | CAE | CAD | H7 | 179.9° | 179.7° |
| CAF | CAL | CAX | CAK | 0.0° | 0.0° |
| CAF | CAL | CAX | H15 | 180.0° | 180.0° |
| CAF | CAL | CAX | CAV | 179.1° | 180.0° |
| CAL | CAF | CAD | H7 | 179.9° | 179.8° |
| CAK | CAX | CAL | CAV | 179.1° | 180.0° |
| CAK | CAX | CAV | CAZ | 149.0° | 156.4° |
| CAK | CAX | CAV | N | 79.5° | 23.7° |
| CAX | CAK | CAE | H8 | 179.9° | 180.0° |
| CAK | CAX | CAL | H15 | 180.0° | 180.0° |
| CAL | CAX | CAV | CAZ | 31.8° | 23.6° |
| CAL | CAX | CAV | N | 99.7° | 156.4° |
| CAX | CAL | CAF | H9 | 179.9° | 180.0° |
| CAL | CAX | CAK | H14 | 180.0° | 180.0° |
| CAX | CAV | CAZ | CAM | 67.4° | 40.4° |
| CAX | CAV | CAZ | N | 124.4° | 179.9° |
| CAX | CAV | CAZ | CBA | 115.4° | 139.7° |
| CAX | CAV | N | CA | 166.6° | 179.6° |
| CAV | CAX | CAK | H14 | 0.8° | 0.0° |
| CAV | CAX | CAL | H15 | 0.9° | 0.0° |
| CAG | CAM | CAZ | H16 | 180.0° | 180.0° |
| CAM | CAG | CAH | H10 | 180.0° | 180.0° |
| CAG | CAM | CAZ | CAV | 179.0° | 179.9° |
| CAG | CAM | CAZ | CBA | 1.6° | 0.1° |
| CAM | CAG | CAH | CAN | 0.4° | 0.0° |
| CAM | CAG | CAH | H11 | 179.6° | 180.0° |
| CAZ | CAM | CAG | CAH | 1.1° | 0.0° |
| CAM | CAZ | CAV | CBA | 177.2° | 180.0° |
| CAM | CAZ | CAV | N | 168.1° | 139.7° |
| CAM | CAZ | CBA | CAN | 1.4° | 0.2° |
| CAM | CAZ | CBA | NBE | 179.0° | 179.7° |
| CAZ | CAM | CAG | H10 | 178.9° | 180.0° |
| CAG | CAH | CAN | H11 | 180.0° | 180.0° |
| CAG | CAH | CAN | CBA | 0.2° | 0.1° |
| CAH | CAG | CAM | H16 | 178.9° | 180.0° |
| CAG | CAH | CAN | H17 | 179.8° | 180.0° |
| CAZ | CAV | N | CA | 40.5° | 0.3° |
| CAV | CAZ | CBA | CAN | 178.4° | 179.8° |
| CAV | CAZ | CBA | NBE | 2.0° | 0.3° |
| CAV | CAZ | CAM | H16 | 1.0° | 0.1° |
| N | CAV | CAZ | CBA | 9.1° | 40.3° |
| CAV | N | CA | NAS | 143.2° | 56.2° |
| CAV | N | CA | C | 97.6° | 63.7° |
| CAV | N | CA | H3 | 21.2° | 176.4° |
| CAZ | CBA | CAN | CAH | 0.7° | 0.2° |
| CAZ | CBA | CAN | NBE | 179.7° | 179.9° |
| CAZ | CBA | NBE | C | 31.8° | 40.5° |
| CAZ | CBA | NBE | CAA | 149.2° | 139.5° |
| CBA | CAZ | CAM | H16 | 178.5° | 179.9° |
| CAZ | CBA | CAN | H17 | 179.3° | 179.9° |
| CAH | CAN | CBA | H17 | 180.0° | 179.9° |
| CAH | CAN | CBA | NBE | 179.6° | 179.8° |
| CAN | CAH | CAG | H10 | 179.5° | 180.0° |
| N | CA | NAS | C | 119.9° | 119.5° |
| N | CA | NAS | H3 | 122.1° | 120.2° |
| N | CA | C | H3 | 119.7° | 119.8° |
| N | CA | C | NBE | 73.1° | 63.4° |
| N | CA | NAS | CAU | 151.7° | 105.0° |
| N | CA | C | O | 105.7° | 116.6° |
| N | CA | NAS | H22 | 28.3° | 75.0° |
| CAN | CBA | NBE | C | 148.5° | 139.6° |
| CAN | CBA | NBE | CAA | 30.4° | 40.5° |
| CBA | CAN | CAH | H11 | 179.8° | 179.9° |
| CBA | NBE | C | CA | 0.9° | 2.7° |
| CBA | NBE | C | CAA | 179.0° | 179.9° |
| CBA | NBE | C | O | 179.7° | 177.3° |
| CBA | NBE | CAA | H4 | 180.0° | 90.0° |
| CBA | NBE | CAA | H5 | 60.0° | 150.0° |
| CBA | NBE | CAA | H6 | 60.0° | 30.0° |
| NBE | CBA | CAN | H17 | 0.4° | 0.1° |
| NAS | CA | C | H3 | 118.8° | 120.3° |
| NAS | CA | C | NBE | 165.4° | 56.5° |
| CA | NAS | CAU | H22 | 180.0° | 180.0° |
| NAS | CA | C | O | 15.8° | 123.5° |
| CA | NAS | CAU | OAB | 0.7° | 0.1° |
| CA | NAS | CAU | CAY | 176.0° | 180.0° |
| CA | C | NBE | O | 178.9° | 180.0° |
| CA | C | NBE | CAA | 179.9° | 177.2° |
| C | CA | NAS | CAU | 88.4° | 135.6° |
| C | CA | NAS | H22 | 91.6° | 44.4° |
| NBE | C | CA | H3 | 46.6° | 176.8° |
| C | NBE | CAA | H4 | 0.9° | 90.1° |
| C | NBE | CAA | H5 | 119.1° | 30.0° |
| C | NBE | CAA | H6 | 120.9° | 150.0° |
| CAA | NBE | C | O | 1.3° | 2.8° |
| NBE | CAA | H4 | H5 | 120.0° | 120.0° |
| NBE | CAA | H4 | H6 | 120.0° | 120.0° |
| NBE | CAA | H5 | H6 | 120.0° | 120.1° |
| NAS | CAU | OAB | CAY | 175.0° | 179.9° |
| NAS | CAU | CAY | CAQ | 19.9° | 180.0° |
| NAS | CAU | CAY | NAT | 155.0° | 0.1° |
| CAU | NAS | CA | H3 | 29.6° | 15.3° |
| O | C | CA | H3 | 134.6° | 3.2° |
| OAB | CAU | CAY | CAQ | 164.7° | 0.1° |
| OAB | CAU | CAY | NAT | 20.4° | 180.0° |
| OAB | CAU | NAS | H22 | 179.4° | 180.0° |
| CAU | CAY | CAQ | NAT | 175.6° | 179.9° |
| CAU | CAY | CAQ | CBB | 177.7° | 179.9° |
| CAU | CAY | NAT | CBC | 177.3° | 180.0° |
| CAU | CAY | CAQ | H20 | 2.3° | 0.1° |
| CAY | CAU | NAS | H22 | 4.0° | 0.0° |
| CAU | CAY | NAT | H23 | 2.7° | 0.1° |
| CAY | CAQ | CBB | H20 | 180.0° | 180.0° |
| CAY | CAQ | CBB | CAO | 179.5° | 179.6° |
| CAY | CAQ | CBB | CBC | 1.7° | 0.0° |
| CAQ | CAY | NAT | CBC | 1.7° | 0.1° |
| CAQ | CAY | NAT | H23 | 178.3° | 180.0° |
| CBB | CAQ | CAY | NAT | 2.1° | 0.0° |
| CAQ | CBB | CAO | CBC | 178.6° | 179.5° |
| CAQ | CBB | CAO | CAI | 179.5° | 180.0° |
| CAQ | CBB | CBC | NAT | 0.8° | 0.0° |
| CAQ | CBB | CBC | CAP | 178.3° | 179.6° |
| CAQ | CBB | CAO | H18 | 0.5° | 0.0° |
| CAY | NAT | CBC | CBB | 0.5° | 0.1° |
| CAY | NAT | CBC | H23 | 180.0° | 179.9° |
| CAY | NAT | CBC | CAP | 179.6° | 179.5° |
| NAT | CAY | CAQ | H20 | 177.9° | 180.0° |
| CBB | CAO | CAI | H18 | 180.0° | 180.0° |
| CAO | CBB | CBC | NAT | 179.8° | 179.6° |
| CAO | CBB | CBC | CAP | 0.6° | 0.8° |
| CBB | CAO | CAI | CAJ | 1.5° | 0.0° |
| CBB | CAO | CAI | H12 | 178.5° | 179.8° |
| CAO | CBB | CAQ | H20 | 0.5° | 0.4° |
| CBC | CBB | CAO | CAI | 0.9° | 0.5° |
| CBB | CBC | NAT | CAP | 179.1° | 179.6° |
| CBB | CBC | CAP | CAJ | 1.5° | 0.5° |
| CBC | CBB | CAO | H18 | 179.1° | 179.5° |
| CBB | CBC | CAP | H19 | 178.5° | 179.5° |
| CBC | CBB | CAQ | H20 | 178.3° | 180.0° |
| CBB | CBC | NAT | H23 | 179.5° | 180.0° |
| CAO | CAI | CAJ | H12 | 180.0° | 179.8° |
| CAO | CAI | CAJ | CAP | 0.5° | 0.3° |
| CAO | CAI | CAJ | H13 | 179.4° | 179.7° |
| NAT | CBC | CAP | CAJ | 179.5° | 180.0° |
| NAT | CBC | CAP | H19 | 0.5° | 0.0° |
| CBC | CAP | CAJ | CAI | 1.0° | 0.0° |
| CBC | CAP | CAJ | H19 | 180.0° | 180.0° |
| CBC | CAP | CAJ | H13 | 179.1° | 180.0° |
| CAP | CBC | NAT | H23 | 0.4° | 0.4° |
| CAI | CAJ | CAP | H13 | 180.0° | 180.0° |
| CAJ | CAI | CAO | H18 | 178.5° | 180.0° |
| CAI | CAJ | CAP | H19 | 179.0° | 180.0° |
| CAP | CAJ | CAI | H12 | 179.4° | 180.0° |
| H3 | CA | NAS | H22 | 150.4° | 164.8° |
| H4 | CAA | H5 | H6 | 120.0° | 120.0° |
| H7 | CAD | CAE | H8 | 0.2° | 0.3° |
| H7 | CAD | CAF | H9 | 0.2° | 0.4° |
| H8 | CAE | CAK | H14 | 0.1° | 0.0° |
| H9 | CAF | CAL | H15 | 0.1° | 0.1° |
| H10 | CAG | CAH | H11 | 0.4° | 0.0° |
| H10 | CAG | CAM | H16 | 1.1° | 0.0° |
| H11 | CAH | CAN | H17 | 0.2° | 0.0° |
| H12 | CAI | CAJ | H13 | 0.6° | 0.0° |
| H12 | CAI | CAO | H18 | 1.5° | 0.2° |
| H13 | CAJ | CAP | H19 | 0.9° | 0.0° |
