92Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | CAB | sing | 1.74Å | 1.73Å | |
| CBE | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CBE | CBD | sing | 1.38Å | 1.39Å | Aromatic |
| CAB | CAC | sing | 1.39Å | 1.40Å | Aromatic |
| CBD | CBC | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | NAD | sing | 1.40Å | 1.36Å | |
| CAC | CBA | doub | 1.39Å | 1.40Å | Aromatic |
| CBC | CBA | sing | 1.38Å | 1.40Å | Aromatic |
| OAZ | CAE | doub | 1.22Å | 1.23Å | |
| NAD | CAE | sing | 1.35Å | 1.36Å | |
| CBA | CBB | sing | 1.51Å | 1.39Å | |
| CAE | CAF | sing | 1.46Å | 1.35Å | |
| CAF | SAY | sing | 1.76Å | 1.68Å | Aromatic |
| CAF | CAG | doub | 1.37Å | 1.34Å | Aromatic |
| SAY | CAI | sing | 1.71Å | 1.67Å | Aromatic |
| CAS | NAT | sing | 1.49Å | 1.48Å | |
| CAS | CAR | sing | 1.54Å | 1.50Å | |
| CAG | NAH | sing | 1.31Å | 1.36Å | Aromatic |
| NAT | CAU | sing | 1.49Å | 1.48Å | |
| CAU | CAV | sing | 1.54Å | 1.53Å | |
| CAV | CAR | sing | 1.54Å | 1.50Å | |
| CAI | NAH | doub | 1.30Å | 1.34Å | Aromatic |
| CAI | NAJ | sing | 1.38Å | 1.34Å | |
| NAQ | CAR | sing | 1.47Å | 1.48Å | |
| NAQ | CAP | sing | 1.35Å | 1.34Å | |
| CAL | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| NAJ | CAK | sing | 1.40Å | 1.36Å | |
| CAK | CAX | doub | 1.39Å | 1.40Å | Aromatic |
| CAN | CAO | doub | 1.40Å | 1.39Å | Aromatic |
| CAX | CAO | sing | 1.40Å | 1.39Å | Aromatic |
| CAO | CAP | sing | 1.48Å | 1.40Å | |
| CAP | OAW | doub | 1.22Å | 1.23Å | |
| CAV | H1 | sing | 1.09Å | 1.10Å | |
| CAV | H2 | sing | 1.09Å | 1.10Å | |
| CAU | H3 | sing | 1.09Å | 1.10Å | |
| CAU | H4 | sing | 1.09Å | 1.10Å | |
| NAT | H5 | sing | 1.01Å | 1.00Å | |
| CAS | H7 | sing | 1.09Å | 1.10Å | |
| CAS | H8 | sing | 1.09Å | 1.10Å | |
| CAR | H9 | sing | 1.09Å | 1.10Å | |
| NAQ | H10 | sing | 0.97Å | 1.00Å | |
| CAX | H11 | sing | 1.08Å | 1.08Å | |
| CAN | H12 | sing | 1.08Å | 1.08Å | |
| CAM | H13 | sing | 1.08Å | 1.08Å | |
| CAL | H14 | sing | 1.08Å | 1.08Å | |
| NAJ | H15 | sing | 0.97Å | 1.00Å | |
| CAG | H16 | sing | 1.08Å | 1.08Å | |
| NAD | H17 | sing | 0.97Å | 1.00Å | |
| CBE | H18 | sing | 1.08Å | 1.08Å | |
| CBD | H19 | sing | 1.08Å | 1.08Å | |
| CBC | H20 | sing | 1.08Å | 1.08Å | |
| CBB | H21 | sing | 1.09Å | 1.10Å | |
| CBB | H22 | sing | 1.09Å | 1.10Å | |
| CBB | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | CAB | CBE | 118.3° | 120.1° |
| CL | CAB | CAC | 122.4° | 120.0° |
| CAB | CBE | CBD | 120.9° | 120.1° |
| CBE | CAB | CAC | 119.3° | 119.9° |
| CAB | CBE | H18 | 119.5° | 119.9° |
| CBE | CBD | CBC | 119.5° | 120.2° |
| CBD | CBE | H18 | 119.5° | 120.0° |
| CBE | CBD | H19 | 120.3° | 119.9° |
| CAB | CAC | NAD | 120.7° | 120.1° |
| CAB | CAC | CBA | 120.1° | 119.8° |
| CBD | CBC | CBA | 120.5° | 120.1° |
| CBC | CBD | H19 | 120.3° | 119.9° |
| CBD | CBC | H20 | 119.8° | 120.0° |
| NAD | CAC | CBA | 119.2° | 120.1° |
| CAC | NAD | CAE | 119.7° | 120.0° |
| CAC | NAD | H17 | 120.2° | 120.0° |
| CAC | CBA | CBC | 119.7° | 120.0° |
| CAC | CBA | CBB | 121.9° | 120.0° |
| CBC | CBA | CBB | 118.4° | 120.0° |
| CBA | CBC | H20 | 119.7° | 120.0° |
| OAZ | CAE | NAD | 122.6° | 120.0° |
| OAZ | CAE | CAF | 119.4° | 119.9° |
| NAD | CAE | CAF | 118.0° | 120.1° |
| CAE | NAD | H17 | 120.1° | 119.9° |
| CBA | CBB | H21 | 109.5° | 109.5° |
| CBA | CBB | H22 | 109.5° | 109.5° |
| CBA | CBB | H23 | 109.5° | 109.5° |
| CAE | CAF | SAY | 124.1° | 126.1° |
| CAE | CAF | CAG | 127.8° | 126.2° |
| SAY | CAF | CAG | 108.0° | 107.8° |
| CAF | SAY | CAI | 95.3° | 90.4° |
| CAF | CAG | NAH | 114.0° | 114.1° |
| CAF | CAG | H16 | 123.0° | 123.0° |
| SAY | CAI | NAH | 107.9° | 110.5° |
| SAY | CAI | NAJ | 129.6° | 124.8° |
| NAT | CAS | CAR | 101.1° | 104.6° |
| CAS | NAT | CAU | 104.9° | 104.2° |
| CAS | NAT | H5 | 110.6° | 111.0° |
| NAT | CAS | H7 | 111.5° | 110.4° |
| NAT | CAS | H8 | 111.6° | 110.4° |
| CAS | CAR | CAV | 97.1° | 105.0° |
| CAS | CAR | NAQ | 110.6° | 110.3° |
| CAR | CAS | H7 | 111.5° | 110.4° |
| CAR | CAS | H8 | 111.5° | 110.4° |
| CAS | CAR | H9 | 112.2° | 110.3° |
| CAG | NAH | CAI | 114.8° | 117.2° |
| NAH | CAG | H16 | 123.0° | 123.0° |
| NAT | CAU | CAV | 104.9° | 104.6° |
| NAT | CAU | H3 | 110.6° | 110.4° |
| NAT | CAU | H4 | 110.6° | 110.5° |
| CAU | NAT | H5 | 110.6° | 111.0° |
| CAU | CAV | CAR | 100.0° | 105.1° |
| CAU | CAV | H1 | 111.8° | 110.3° |
| CAU | CAV | H2 | 111.8° | 110.4° |
| CAV | CAU | H3 | 110.6° | 110.4° |
| CAV | CAU | H4 | 110.6° | 110.4° |
| CAV | CAR | NAQ | 111.1° | 110.3° |
| CAR | CAV | H1 | 111.8° | 110.3° |
| CAR | CAV | H2 | 111.8° | 110.3° |
| CAV | CAR | H9 | 112.2° | 110.3° |
| NAH | CAI | NAJ | 122.5° | 124.7° |
| CAI | NAJ | CAK | 125.2° | 120.0° |
| CAI | NAJ | H15 | 117.4° | 120.0° |
| CAR | NAQ | CAP | 122.1° | 120.0° |
| NAQ | CAR | H9 | 112.6° | 110.4° |
| CAR | NAQ | H10 | 118.9° | 120.0° |
| NAQ | CAP | CAO | 115.3° | 120.0° |
| NAQ | CAP | OAW | 123.4° | 120.0° |
| CAP | NAQ | H10 | 119.0° | 120.0° |
| CAM | CAL | CAK | 121.1° | 120.2° |
| CAL | CAM | CAN | 119.9° | 120.2° |
| CAL | CAM | H13 | 120.1° | 119.9° |
| CAM | CAL | H14 | 119.4° | 119.9° |
| CAL | CAK | NAJ | 116.9° | 119.9° |
| CAL | CAK | CAX | 118.2° | 120.0° |
| CAK | CAL | H14 | 119.4° | 119.9° |
| CAM | CAN | CAO | 119.9° | 120.0° |
| CAM | CAN | H12 | 120.0° | 120.0° |
| CAN | CAM | H13 | 120.1° | 119.9° |
| NAJ | CAK | CAX | 124.8° | 120.0° |
| CAK | NAJ | H15 | 117.4° | 120.1° |
| CAK | CAX | CAO | 121.1° | 119.8° |
| CAK | CAX | H11 | 119.5° | 120.1° |
| CAN | CAO | CAX | 119.8° | 119.7° |
| CAN | CAO | CAP | 119.2° | 120.1° |
| CAO | CAN | H12 | 120.1° | 120.0° |
| CAX | CAO | CAP | 121.0° | 120.1° |
| CAO | CAX | H11 | 119.4° | 120.1° |
| CAO | CAP | OAW | 121.2° | 120.0° |
| H1 | CAV | H2 | 109.5° | 110.2° |
| H3 | CAU | H4 | 109.5° | 110.3° |
| H7 | CAS | H8 | 109.5° | 110.4° |
| H21 | CBB | H22 | 109.5° | 109.5° |
| H21 | CBB | H23 | 109.5° | 109.5° |
| H22 | CBB | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | CAB | CBE | CAC | 180.0° | 179.9° |
| CL | CAB | CBE | CBD | 179.8° | 180.0° |
| CL | CAB | CAC | NAD | 0.4° | 0.0° |
| CL | CAB | CAC | CBA | 179.5° | 179.8° |
| CL | CAB | CBE | H18 | 0.2° | 0.1° |
| CAB | CBE | CBD | H18 | 180.0° | 179.9° |
| CAB | CBE | CBD | CBC | 0.1° | 0.0° |
| CBE | CAB | CAC | NAD | 179.6° | 180.0° |
| CBE | CAB | CAC | CBA | 0.6° | 0.2° |
| CAB | CBE | CBD | H19 | 180.0° | 180.0° |
| CBD | CBE | CAB | CAC | 0.2° | 0.0° |
| CBE | CBD | CBC | H19 | 180.0° | 180.0° |
| CBE | CBD | CBC | CBA | 0.2° | 0.3° |
| CBE | CBD | CBC | H20 | 179.8° | 180.0° |
| CAB | CAC | NAD | CBA | 179.1° | 179.8° |
| CAB | CAC | CBA | CBC | 0.7° | 0.4° |
| CAB | CAC | NAD | CAE | 98.6° | 52.0° |
| CAB | CAC | CBA | CBB | 179.8° | 179.8° |
| CAB | CAC | NAD | H17 | 81.4° | 128.0° |
| CAC | CAB | CBE | H18 | 179.8° | 180.0° |
| CBD | CBC | CBA | CAC | 0.5° | 0.5° |
| CBD | CBC | CBA | H20 | 180.0° | 179.8° |
| CBD | CBC | CBA | CBB | 180.0° | 179.7° |
| CBC | CBD | CBE | H18 | 180.0° | 179.9° |
| NAD | CAC | CBA | CBC | 179.8° | 179.8° |
| CAC | NAD | CAE | OAZ | 1.3° | 5.6° |
| CAC | NAD | CAE | H17 | 180.0° | 180.0° |
| NAD | CAC | CBA | CBB | 0.7° | 0.0° |
| CAC | NAD | CAE | CAF | 177.7° | 174.4° |
| CAC | CBA | CBC | CBB | 179.5° | 179.8° |
| CBA | CAC | NAD | CAE | 82.3° | 127.8° |
| CBA | CAC | NAD | H17 | 97.7° | 52.2° |
| CAC | CBA | CBC | H20 | 179.5° | 179.8° |
| CAC | CBA | CBB | H21 | 90.3° | 90.0° |
| CAC | CBA | CBB | H22 | 149.7° | 150.0° |
| CAC | CBA | CBB | H23 | 29.8° | 30.0° |
| CBA | CBC | CBD | H19 | 179.8° | 179.8° |
| CBC | CBA | CBB | H21 | 90.2° | 89.8° |
| CBC | CBA | CBB | H22 | 29.8° | 30.2° |
| CBC | CBA | CBB | H23 | 149.7° | 150.2° |
| OAZ | CAE | NAD | CAF | 179.1° | 180.0° |
| OAZ | CAE | CAF | SAY | 2.2° | 180.0° |
| OAZ | CAE | CAF | CAG | 176.8° | 0.2° |
| OAZ | CAE | NAD | H17 | 178.7° | 174.5° |
| NAD | CAE | CAF | SAY | 178.7° | 0.0° |
| NAD | CAE | CAF | CAG | 2.3° | 179.8° |
| CBB | CBA | CBC | H20 | 0.0° | 0.0° |
| CBA | CBB | H21 | H22 | 120.0° | 120.0° |
| CBA | CBB | H21 | H23 | 120.0° | 120.0° |
| CBA | CBB | H22 | H23 | 120.0° | 120.0° |
| CAE | CAF | SAY | CAG | 179.2° | 179.8° |
| CAE | CAF | SAY | CAI | 179.8° | 180.0° |
| CAE | CAF | CAG | NAH | 179.8° | 179.8° |
| CAE | CAF | CAG | H16 | 0.2° | 0.2° |
| CAF | CAE | NAD | H17 | 2.2° | 5.6° |
| SAY | CAF | CAG | NAH | 1.0° | 0.3° |
| CAF | SAY | CAI | NAH | 0.0° | 0.0° |
| CAF | SAY | CAI | NAJ | 179.9° | 179.8° |
| SAY | CAF | CAG | H16 | 179.0° | 179.9° |
| CAG | CAF | SAY | CAI | 0.6° | 0.2° |
| CAF | CAG | NAH | H16 | 180.0° | 179.6° |
| CAF | CAG | NAH | CAI | 1.1° | 0.3° |
| SAY | CAI | NAH | CAG | 0.6° | 0.2° |
| SAY | CAI | NAH | NAJ | 179.9° | 179.8° |
| SAY | CAI | NAJ | CAK | 2.0° | 173.3° |
| SAY | CAI | NAJ | H15 | 178.0° | 6.7° |
| NAT | CAS | CAR | H7 | 118.6° | 118.8° |
| NAT | CAS | CAR | H8 | 118.7° | 118.9° |
| CAS | NAT | CAU | H5 | 119.3° | 119.5° |
| CAS | NAT | CAU | CAV | 2.9° | 39.4° |
| NAT | CAS | CAR | CAV | 54.1° | 23.8° |
| NAT | CAS | CAR | NAQ | 169.9° | 95.0° |
| CAS | NAT | CAU | H3 | 116.4° | 79.4° |
| CAS | NAT | CAU | H4 | 122.2° | 158.3° |
| NAT | CAS | H7 | H8 | 123.9° | 122.4° |
| NAT | CAS | CAR | H9 | 63.4° | 142.7° |
| CAR | CAS | NAT | CAU | 35.5° | 39.5° |
| CAS | CAR | CAV | CAU | 51.2° | 0.0° |
| CAS | CAR | CAV | NAQ | 115.3° | 118.9° |
| CAS | CAR | CAV | H9 | 117.6° | 118.9° |
| CAS | CAR | NAQ | H9 | 126.5° | 122.2° |
| CAS | CAR | NAQ | CAP | 178.6° | 89.4° |
| CAS | CAR | CAV | H1 | 67.3° | 118.9° |
| CAS | CAR | CAV | H2 | 169.6° | 119.0° |
| CAR | CAS | NAT | H5 | 154.8° | 80.1° |
| CAR | CAS | H7 | H8 | 123.9° | 122.4° |
| CAS | CAR | NAQ | H10 | 1.4° | 90.6° |
| CAG | NAH | CAI | NAJ | 179.5° | 180.0° |
| NAT | CAU | CAV | H3 | 119.3° | 118.8° |
| NAT | CAU | CAV | H4 | 119.3° | 118.9° |
| NAT | CAU | CAV | CAR | 30.5° | 23.8° |
| NAT | CAU | CAV | H1 | 87.9° | 95.1° |
| NAT | CAU | CAV | H2 | 149.0° | 142.8° |
| NAT | CAU | H3 | H4 | 122.1° | 122.5° |
| CAU | NAT | CAS | H7 | 154.1° | 79.3° |
| CAU | NAT | CAS | H8 | 83.1° | 158.3° |
| CAU | CAV | CAR | H1 | 118.4° | 118.9° |
| CAU | CAV | CAR | H2 | 118.4° | 119.1° |
| CAU | CAV | CAR | NAQ | 166.5° | 118.9° |
| CAU | CAV | H1 | H2 | 124.4° | 122.2° |
| CAV | CAU | H3 | H4 | 122.1° | 122.4° |
| CAV | CAU | NAT | H5 | 122.2° | 80.1° |
| CAU | CAV | CAR | H9 | 66.4° | 118.9° |
| CAV | CAR | NAQ | H9 | 126.8° | 122.1° |
| CAV | CAR | NAQ | CAP | 71.9° | 155.0° |
| CAR | CAV | H1 | H2 | 124.4° | 122.1° |
| CAR | CAV | CAU | H3 | 149.8° | 94.9° |
| CAR | CAV | CAU | H4 | 88.8° | 142.8° |
| CAV | CAR | CAS | H7 | 172.8° | 94.9° |
| CAV | CAR | CAS | H8 | 64.5° | 142.7° |
| CAV | CAR | NAQ | H10 | 108.1° | 25.1° |
| NAH | CAI | NAJ | CAK | 178.1° | 6.5° |
| NAH | CAI | NAJ | H15 | 1.9° | 173.5° |
| CAI | NAH | CAG | H16 | 178.9° | 179.9° |
| CAI | NAJ | CAK | CAL | 143.7° | 153.8° |
| CAI | NAJ | CAK | H15 | 180.0° | 180.0° |
| CAI | NAJ | CAK | CAX | 38.2° | 26.5° |
| CAR | NAQ | CAP | H10 | 180.0° | 179.9° |
| CAR | NAQ | CAP | CAO | 179.4° | 180.0° |
| CAR | NAQ | CAP | OAW | 2.3° | 0.0° |
| NAQ | CAR | CAV | H1 | 48.1° | 0.0° |
| NAQ | CAR | CAV | H2 | 75.1° | 122.0° |
| NAQ | CAR | CAS | H7 | 71.5° | 146.2° |
| NAQ | CAR | CAS | H8 | 51.3° | 23.8° |
| NAQ | CAP | CAO | CAN | 38.8° | 0.3° |
| NAQ | CAP | CAO | CAX | 141.6° | 180.0° |
| NAQ | CAP | CAO | OAW | 177.2° | 180.0° |
| CAP | NAQ | CAR | H9 | 54.9° | 32.9° |
| CAM | CAL | CAK | H14 | 180.0° | 179.7° |
| CAL | CAM | CAN | H13 | 180.0° | 179.9° |
| CAM | CAL | CAK | NAJ | 179.3° | 179.9° |
| CAM | CAL | CAK | CAX | 1.1° | 0.2° |
| CAL | CAM | CAN | CAO | 0.1° | 0.1° |
| CAL | CAM | CAN | H12 | 180.0° | 180.0° |
| CAK | CAL | CAM | CAN | 0.4° | 0.2° |
| CAL | CAK | NAJ | CAX | 178.1° | 179.7° |
| CAL | CAK | CAX | CAO | 1.3° | 0.0° |
| CAL | CAK | CAX | H11 | 178.7° | 180.0° |
| CAK | CAL | CAM | H13 | 179.6° | 179.7° |
| CAL | CAK | NAJ | H15 | 36.3° | 26.2° |
| CAM | CAN | CAO | H12 | 180.0° | 179.9° |
| CAM | CAN | CAO | CAX | 0.1° | 0.3° |
| CAM | CAN | CAO | CAP | 179.7° | 180.0° |
| CAN | CAM | CAL | H14 | 179.6° | 179.9° |
| NAJ | CAK | CAX | CAO | 179.3° | 179.7° |
| NAJ | CAK | CAX | H11 | 0.6° | 0.3° |
| NAJ | CAK | CAL | H14 | 0.7° | 0.3° |
| CAK | CAX | CAO | CAN | 0.8° | 0.2° |
| CAK | CAX | CAO | H11 | 180.0° | 180.0° |
| CAK | CAX | CAO | CAP | 179.6° | 180.0° |
| CAX | CAK | CAL | H14 | 178.9° | 179.9° |
| CAX | CAK | NAJ | H15 | 141.8° | 153.5° |
| CAN | CAO | CAX | CAP | 179.6° | 179.7° |
| CAN | CAO | CAP | OAW | 138.3° | 179.7° |
| CAN | CAO | CAX | H11 | 179.2° | 179.8° |
| CAO | CAN | CAM | H13 | 179.9° | 180.0° |
| CAX | CAO | CAP | OAW | 41.3° | 0.0° |
| CAX | CAO | CAN | H12 | 179.8° | 179.8° |
| CAO | CAP | NAQ | H10 | 0.5° | 0.0° |
| CAP | CAO | CAX | H11 | 0.4° | 0.0° |
| CAP | CAO | CAN | H12 | 0.3° | 0.1° |
| OAW | CAP | NAQ | H10 | 177.6° | 180.0° |
| H1 | CAV | CAU | H3 | 31.4° | 146.1° |
| H1 | CAV | CAU | H4 | 152.8° | 23.8° |
| H1 | CAV | CAR | H9 | 175.2° | 122.2° |
| H2 | CAV | CAU | H3 | 91.8° | 24.1° |
| H2 | CAV | CAU | H4 | 29.7° | 98.3° |
| H2 | CAV | CAR | H9 | 52.1° | 0.2° |
| H3 | CAU | NAT | H5 | 2.9° | 161.1° |
| H4 | CAU | NAT | H5 | 118.5° | 38.7° |
| H5 | NAT | CAS | H7 | 86.6° | 161.1° |
| H5 | NAT | CAS | H8 | 36.1° | 38.8° |
| H7 | CAS | CAR | H9 | 55.2° | 23.9° |
| H8 | CAS | CAR | H9 | 178.0° | 98.5° |
| H9 | CAR | NAQ | H10 | 125.1° | 147.2° |
| H12 | CAN | CAM | H13 | 0.1° | 0.1° |
| H13 | CAM | CAL | H14 | 0.4° | 0.0° |
| H18 | CBE | CBD | H19 | 0.0° | 0.0° |
| H19 | CBD | CBC | H20 | 0.2° | 0.0° |
| H21 | CBB | H22 | H23 | 120.0° | 120.0° |
