0FZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | OAR | sing | 1.43Å | 1.43Å | |
| OAR | CAX | sing | 1.36Å | 1.34Å | |
| CAX | CAW | doub | 1.39Å | 1.39Å | Aromatic |
| CAX | CAM | sing | 1.39Å | 1.38Å | Aromatic |
| CAW | CAL | sing | 1.38Å | 1.36Å | Aromatic |
| CAM | CAT | doub | 1.37Å | 1.39Å | Aromatic |
| CAL | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAT | CAO | sing | 1.51Å | 1.39Å | |
| CAT | CAG | sing | 1.40Å | 1.41Å | Aromatic |
| CAO | CAN | sing | 1.53Å | 1.54Å | |
| CAG | CAS | sing | 1.48Å | 1.40Å | |
| CAN | NAP | sing | 1.46Å | 1.50Å | |
| CAS | NAP | doub | 1.30Å | 1.37Å | |
| CAS | CAU | sing | 1.48Å | 1.39Å | |
| CAU | CAH | doub | 1.40Å | 1.41Å | Aromatic |
| CAU | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.41Å | Aromatic |
| CAI | CAK | doub | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | SAY | sing | 1.76Å | 1.80Å | |
| NAC | SAY | sing | 1.66Å | 1.49Å | |
| OAF | SAY | doub | 1.42Å | 1.52Å | |
| SAY | OAE | doub | 1.42Å | 1.48Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.08Å | 1.08Å | |
| CAW | H5 | sing | 1.08Å | 1.08Å | |
| CAL | H6 | sing | 1.08Å | 1.08Å | |
| CAO | H7 | sing | 1.09Å | 1.10Å | |
| CAO | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAI | H14 | sing | 1.08Å | 1.08Å | |
| CAK | H15 | sing | 1.08Å | 1.08Å | |
| CAH | H16 | sing | 1.08Å | 1.08Å | |
| CAJ | H17 | sing | 1.08Å | 1.08Å | |
| NAC | H18 | sing | 0.97Å | 1.00Å | |
| NAC | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | OAR | CAX | 112.2° | 117.0° |
| OAR | CAB | H1 | 109.5° | 109.5° |
| OAR | CAB | H2 | 109.5° | 109.4° |
| OAR | CAB | H3 | 109.5° | 109.5° |
| OAR | CAX | CAW | 117.8° | 119.9° |
| OAR | CAX | CAM | 123.6° | 119.8° |
| CAW | CAX | CAM | 118.5° | 120.3° |
| CAX | CAW | CAL | 115.5° | 120.2° |
| CAX | CAW | H5 | 122.2° | 119.9° |
| CAX | CAM | CAT | 123.5° | 119.8° |
| CAX | CAM | H4 | 118.2° | 120.1° |
| CAW | CAL | CAG | 129.6° | 119.6° |
| CAL | CAW | H5 | 122.3° | 119.9° |
| CAW | CAL | H6 | 115.2° | 120.1° |
| CAM | CAT | CAO | 117.2° | 121.2° |
| CAM | CAT | CAG | 120.0° | 120.0° |
| CAT | CAM | H4 | 118.3° | 120.1° |
| CAL | CAG | CAT | 112.4° | 120.1° |
| CAL | CAG | CAS | 127.4° | 121.4° |
| CAG | CAL | H6 | 115.2° | 120.2° |
| CAO | CAT | CAG | 122.7° | 118.8° |
| CAT | CAO | CAN | 108.7° | 109.6° |
| CAT | CAO | H7 | 109.7° | 109.4° |
| CAT | CAO | H8 | 109.7° | 109.4° |
| CAT | CAG | CAS | 119.9° | 118.6° |
| CAO | CAN | NAP | 106.7° | 111.2° |
| CAN | CAO | H7 | 109.6° | 109.5° |
| CAN | CAO | H8 | 109.7° | 109.5° |
| CAO | CAN | H9 | 110.2° | 109.1° |
| CAO | CAN | H10 | 110.1° | 109.1° |
| CAG | CAS | NAP | 116.6° | 119.6° |
| CAG | CAS | CAU | 131.3° | 120.2° |
| CAN | NAP | CAS | 115.3° | 122.0° |
| NAP | CAN | H9 | 110.2° | 109.2° |
| NAP | CAN | H10 | 110.2° | 109.2° |
| NAP | CAS | CAU | 112.0° | 120.2° |
| CAS | CAU | CAH | 121.5° | 120.2° |
| CAS | CAU | CAI | 123.6° | 120.1° |
| CAH | CAU | CAI | 114.9° | 119.7° |
| CAU | CAH | CAJ | 122.4° | 119.8° |
| CAU | CAH | H16 | 118.8° | 120.0° |
| CAU | CAI | CAK | 123.5° | 119.9° |
| CAU | CAI | H14 | 118.3° | 120.1° |
| CAH | CAJ | CAV | 120.7° | 120.1° |
| CAJ | CAH | H16 | 118.8° | 120.1° |
| CAH | CAJ | H17 | 119.7° | 119.9° |
| CAI | CAK | CAV | 121.7° | 120.2° |
| CAK | CAI | H14 | 118.3° | 120.0° |
| CAI | CAK | H15 | 119.2° | 120.0° |
| CAJ | CAV | CAK | 116.8° | 120.3° |
| CAJ | CAV | SAY | 121.6° | 119.8° |
| CAV | CAJ | H17 | 119.6° | 120.0° |
| CAK | CAV | SAY | 121.6° | 119.9° |
| CAV | CAK | H15 | 119.1° | 119.9° |
| CAV | SAY | NAC | 112.8° | 107.3° |
| CAV | SAY | OAF | 102.8° | 106.4° |
| CAV | SAY | OAE | 104.2° | 106.4° |
| NAC | SAY | OAF | 113.9° | 106.4° |
| NAC | SAY | OAE | 110.5° | 106.4° |
| SAY | NAC | H18 | 109.5° | 119.9° |
| SAY | NAC | H19 | 109.5° | 120.0° |
| OAF | SAY | OAE | 112.1° | 123.1° |
| H1 | CAB | H2 | 109.5° | 109.5° |
| H1 | CAB | H3 | 109.4° | 109.5° |
| H2 | CAB | H3 | 109.5° | 109.4° |
| H7 | CAO | H8 | 109.5° | 109.4° |
| H9 | CAN | H10 | 109.4° | 109.1° |
| H18 | NAC | H19 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | OAR | CAX | CAW | 179.1° | 0.0° |
| CAB | OAR | CAX | CAM | 2.9° | 179.7° |
| OAR | CAB | H1 | H2 | 120.0° | 120.0° |
| OAR | CAB | H1 | H3 | 120.0° | 120.0° |
| OAR | CAB | H2 | H3 | 120.0° | 120.0° |
| OAR | CAX | CAW | CAM | 176.5° | 179.7° |
| OAR | CAX | CAW | CAL | 172.8° | 180.0° |
| OAR | CAX | CAM | CAT | 172.2° | 180.0° |
| CAX | OAR | CAB | H1 | 180.0° | 180.0° |
| CAX | OAR | CAB | H2 | 60.0° | 60.0° |
| CAX | OAR | CAB | H3 | 60.0° | 60.0° |
| OAR | CAX | CAM | H4 | 7.8° | 0.0° |
| OAR | CAX | CAW | H5 | 7.2° | 0.0° |
| CAX | CAW | CAL | H5 | 180.0° | 180.0° |
| CAW | CAX | CAM | CAT | 4.1° | 0.3° |
| CAX | CAW | CAL | CAG | 1.5° | 0.0° |
| CAW | CAX | CAM | H4 | 175.9° | 179.7° |
| CAX | CAW | CAL | H6 | 178.5° | 179.9° |
| CAM | CAX | CAW | CAL | 3.7° | 0.3° |
| CAX | CAM | CAT | H4 | 180.0° | 180.0° |
| CAX | CAM | CAT | CAO | 177.0° | 180.0° |
| CAX | CAM | CAT | CAG | 0.8° | 0.0° |
| CAM | CAX | CAW | H5 | 176.3° | 179.7° |
| CAW | CAL | CAG | H6 | 180.0° | 179.9° |
| CAW | CAL | CAG | CAT | 5.9° | 0.3° |
| CAW | CAL | CAG | CAS | 167.5° | 179.9° |
| CAM | CAT | CAG | CAL | 5.2° | 0.3° |
| CAM | CAT | CAO | CAG | 177.7° | 180.0° |
| CAM | CAT | CAO | CAN | 156.3° | 146.4° |
| CAM | CAT | CAG | CAS | 168.8° | 179.9° |
| CAM | CAT | CAO | H7 | 36.4° | 93.5° |
| CAM | CAT | CAO | H8 | 83.8° | 26.4° |
| CAL | CAG | CAT | CAO | 172.4° | 179.7° |
| CAL | CAG | CAT | CAS | 174.0° | 179.8° |
| CAL | CAG | CAS | NAP | 174.9° | 161.1° |
| CAL | CAG | CAS | CAU | 7.7° | 18.5° |
| CAG | CAL | CAW | H5 | 178.5° | 180.0° |
| CAT | CAO | CAN | H7 | 119.9° | 120.0° |
| CAT | CAO | CAN | H8 | 119.9° | 120.0° |
| CAO | CAT | CAG | CAS | 13.6° | 0.1° |
| CAT | CAO | CAN | NAP | 54.2° | 50.3° |
| CAO | CAT | CAM | H4 | 3.0° | 0.0° |
| CAT | CAO | H7 | H8 | 120.3° | 119.9° |
| CAT | CAO | CAN | H9 | 65.4° | 170.7° |
| CAT | CAO | CAN | H10 | 173.8° | 70.2° |
| CAG | CAT | CAO | CAN | 21.4° | 33.6° |
| CAT | CAG | CAS | NAP | 12.1° | 18.7° |
| CAT | CAG | CAS | CAU | 165.3° | 161.6° |
| CAG | CAT | CAM | H4 | 179.3° | 180.0° |
| CAT | CAG | CAL | H6 | 174.1° | 179.7° |
| CAG | CAT | CAO | H7 | 141.3° | 86.5° |
| CAG | CAT | CAO | H8 | 98.5° | 153.6° |
| CAO | CAN | NAP | H9 | 119.6° | 120.4° |
| CAO | CAN | NAP | H10 | 119.6° | 120.4° |
| CAO | CAN | NAP | CAS | 59.1° | 36.5° |
| CAN | CAO | H7 | H8 | 120.3° | 120.0° |
| CAO | CAN | H9 | H10 | 121.2° | 119.1° |
| CAG | CAS | NAP | CAN | 25.7° | 1.2° |
| CAG | CAS | NAP | CAU | 177.9° | 179.6° |
| CAG | CAS | CAU | CAH | 151.3° | 148.4° |
| CAG | CAS | CAU | CAI | 29.0° | 32.0° |
| CAS | CAG | CAL | H6 | 12.5° | 0.1° |
| CAN | NAP | CAS | CAU | 156.4° | 178.4° |
| NAP | CAN | CAO | H7 | 174.1° | 69.8° |
| NAP | CAN | CAO | H8 | 65.7° | 170.3° |
| NAP | CAN | H9 | H10 | 121.3° | 119.2° |
| NAP | CAS | CAU | CAH | 31.2° | 31.3° |
| NAP | CAS | CAU | CAI | 148.5° | 148.4° |
| CAS | NAP | CAN | H9 | 60.5° | 156.9° |
| CAS | NAP | CAN | H10 | 178.6° | 83.9° |
| CAS | CAU | CAH | CAI | 179.8° | 179.7° |
| CAS | CAU | CAH | CAJ | 179.6° | 180.0° |
| CAS | CAU | CAI | CAK | 179.9° | 179.9° |
| CAS | CAU | CAI | H14 | 0.1° | 0.1° |
| CAS | CAU | CAH | H16 | 0.4° | 0.0° |
| CAU | CAH | CAJ | H16 | 180.0° | 180.0° |
| CAH | CAU | CAI | CAK | 0.4° | 0.3° |
| CAU | CAH | CAJ | CAV | 0.6° | 0.0° |
| CAH | CAU | CAI | H14 | 179.7° | 179.8° |
| CAU | CAH | CAJ | H17 | 179.4° | 180.0° |
| CAI | CAU | CAH | CAJ | 0.2° | 0.3° |
| CAU | CAI | CAK | H14 | 180.0° | 180.0° |
| CAU | CAI | CAK | CAV | 1.7° | 0.0° |
| CAU | CAI | CAK | H15 | 178.3° | 179.9° |
| CAI | CAU | CAH | H16 | 179.9° | 179.7° |
| CAH | CAJ | CAV | H17 | 180.0° | 180.0° |
| CAH | CAJ | CAV | CAK | 1.9° | 0.3° |
| CAH | CAJ | CAV | SAY | 175.9° | 180.0° |
| CAI | CAK | CAV | CAJ | 2.4° | 0.3° |
| CAI | CAK | CAV | H15 | 180.0° | 179.9° |
| CAI | CAK | CAV | SAY | 175.3° | 180.0° |
| CAJ | CAV | CAK | SAY | 177.7° | 179.7° |
| CAJ | CAV | SAY | NAC | 44.7° | 89.8° |
| CAJ | CAV | SAY | OAF | 167.8° | 156.7° |
| CAJ | CAV | SAY | OAE | 75.1° | 23.8° |
| CAJ | CAV | CAK | H15 | 177.6° | 179.8° |
| CAV | CAJ | CAH | H16 | 179.3° | 180.0° |
| CAK | CAV | SAY | NAC | 137.7° | 90.0° |
| CAK | CAV | SAY | OAF | 14.6° | 23.6° |
| CAK | CAV | SAY | OAE | 102.5° | 156.4° |
| CAV | CAK | CAI | H14 | 178.3° | 179.9° |
| CAK | CAV | CAJ | H17 | 178.1° | 179.7° |
| CAV | SAY | NAC | OAF | 116.6° | 113.5° |
| CAV | SAY | NAC | OAE | 116.1° | 113.6° |
| CAV | SAY | OAF | OAE | 111.3° | 122.9° |
| SAY | CAV | CAK | H15 | 4.7° | 0.1° |
| SAY | CAV | CAJ | H17 | 4.1° | 0.0° |
| CAV | SAY | NAC | H18 | 180.0° | 0.0° |
| CAV | SAY | NAC | H19 | 60.0° | 180.0° |
| NAC | SAY | OAF | OAE | 126.4° | 123.0° |
| SAY | NAC | H18 | H19 | 120.0° | 180.0° |
| OAF | SAY | NAC | H18 | 63.4° | 113.6° |
| OAF | SAY | NAC | H19 | 56.6° | 66.5° |
| OAE | SAY | NAC | H18 | 63.9° | 113.5° |
| OAE | SAY | NAC | H19 | 176.1° | 66.4° |
| H1 | CAB | H2 | H3 | 120.0° | 120.0° |
| H5 | CAW | CAL | H6 | 1.5° | 0.0° |
| H7 | CAO | CAN | H9 | 54.5° | 50.7° |
| H7 | CAO | CAN | H10 | 66.3° | 169.8° |
| H8 | CAO | CAN | H9 | 174.7° | 69.2° |
| H8 | CAO | CAN | H10 | 53.9° | 49.8° |
| H14 | CAI | CAK | H15 | 1.7° | 0.0° |
| H16 | CAH | CAJ | H17 | 0.6° | 0.0° |
